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Chemical information in the new world of patents
Chemical information in the new world of patents
Chemical information in the new world of patents
Chemical information in the new world of patents
Chemical information in the new world of patents
Chemical information in the new world of patents
Chemical information in the new world of patents
Chemical information in the new world of patents
Chemical information in the new world of patents
Chemical information in the new world of patents
Chemical information in the new world of patents
Chemical information in the new world of patents
Chemical information in the new world of patents
Chemical information in the new world of patents
Chemical information in the new world of patents
Chemical information in the new world of patents
Chemical information in the new world of patents
Chemical information in the new world of patents
Chemical information in the new world of patents
Chemical information in the new world of patents
Chemical information in the new world of patents
Chemical information in the new world of patents
Chemical information in the new world of patents
Chemical information in the new world of patents
Chemical information in the new world of patents
Chemical information in the new world of patents
Chemical information in the new world of patents
Chemical information in the new world of patents
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Chemical information in the new world of patents

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Presented at the 241st ACS National Meeting & Exposition, March 27-31, 2011

Presented at the 241st ACS National Meeting & Exposition, March 27-31, 2011

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  • 1. Chemical information in thenew world of patentsChris McCueVice President, MarketingACS Division of Chemistry and the LawSpring 2011 ACS Meeting
  • 2. April 20, 2011What I will discuss today• Challenges in finding chemistry in patents• CAS’ complete coverage of disclosed research• Expert indexing increases discoverability• Exhaustive coverage of substances from patentsCAS is a division of the American Chemical Society. 2 Copyright 2011 American Chemical Society. All rights reserved.
  • 3. April 20, 2011CAS supports the mission of the ACSACS Mission To advance the broader chemistry enterprise and its practitioners for the benefit of Earth and its people.CAS Mission To provide the world’s best digital research environment to search, retrieve, analyze, and link chemical information.CAS is a division of the American Chemical Society. 3 Copyright 2011 American Chemical Society. All rights reserved.
  • 4. April 20, 2011How in the world would you find this substance?CAS is a division of the American Chemical Society. 4 Copyright 2011 American Chemical Society. All rights reserved.
  • 5. April 20, 2011How in the world would you find this substance?CAS is a division of the American Chemical Society. 5 Copyright 2011 American Chemical Society. All rights reserved.
  • 6. CAS databases provide the world’s most complete andauthoritative coverage of chemistry and related science Substances Reactions>57M organic and inorganic substances >29M single and multi-step reactionsUpdated daily (~12K) >13M synthetic preparationsSubstances reported back to 1802 Updated weekly (30K-50K)2.8 billion experimental and predicted Reactions back to 1840properties CAS Databases Markush Literature Markush structures representing organic>33M patent, journal, dissertations, etc. and organometallic substances in patents>10K scientific journals covered Coverage back to 1961Patents from 61 patent offices Updated daily (~150-200 MarkushUpdated daily (~3K) structures)Nearly 300M citations back to 1997Coverage back to early 1800s
  • 7. April 20, 2011Growth in published chemical literature has been strongin the last decade Indexed documents added annually from 2003-2010 in CAplus 1,600,000 1,400,000 Documents in CAplus 1,200,000 1,000,000 800,000 600,000 400,000 200,000 0 2003 2004 2005 2006 2007 2008 2009 2010 YearCAS is a division of the American Chemical Society. 7 Copyright 2011 American Chemical Society. All rights reserved.
  • 8. April 20, 2011Chinese, Japanese, and Korean language documentsaccount for 43% of new CAplus database records in 2010 New Documents in Chinese, Japanese, and Korean Languages, 2000-2010 50% Percentages of Documents 45% 43% 40% 35% 33% 33% 31% 30% 25% 22% 20% 15% 10% 5% 0% 2000 2007 2008 2009 2010 YearCAS is a division of the American Chemical Society. 8 Copyright 2011 American Chemical Society. All rights reserved.
  • 9. April 20, 2011China has established a clear lead in the volume ofpublished patent applications on an annual basis Chemistry Patent Documents, 1999‐present China Japan USA WIPO 120,000 Documents in CAS Databases 100,000 80,000 60,000 40,000 20,000 0 1999 2000 2001 2002 2003 2004 2005 2006 2007 2008 2009 2010CAS is a division of the American Chemical Society. 9 Copyright 2011 American Chemical Society. All rights reserved.
  • 10. April 20, 2011 CAS provides the most timely coverage of important patent authorities• Bibliographic information and abstracts from original documents are added quickly – Within 2 days for 9 major patent authorities: US, WO, EP, CA, DE, FR, GB, JP, RU – No more than 14 days for Chinese and Korean patent offices (typically 5 days) – Within 7 days for 1,500 “core” journals – Machine translations added for some countries• Daily updates provide additional information – Intellectually enhanced titles and abstracts – Subject and substance indexing added within 27 days for major authoritiesCAS is a division of the American Chemical Society. 10 Copyright 2011 American Chemical Society. All rights reserved.
  • 11. April 20, 2011CAS chemists and global partners perform the indexingthat adds value to CAS database records ® A division of the American Chemical Society Highest-quality indexingCAS is a division of the American Chemical Society. 11 Copyright 2011 American Chemical Society. All rights reserved.
  • 12. April 20, 2011 CAS indexing is maintained in a hierarchical structure that enhances retrieval Chemical Compound CA Index Terms Classes Taxonomic Vocabulary • > 16,200 subject • > 11,280 frequently • > 244,400 controlled headings (index terms) indexed substances taxonomic terms • > 78,900 subject • Frequently cited • Relationships headings with linked substances from the between taxonomy terms past year and broader or non- taxonomic vocabulary • Related concepts • Broader terms for each substance • Date ranges of use for each termCAS is a division of the American Chemical Society. 12 Copyright 2011 American Chemical Society. All rights reserved.
  • 13. April 20, 2011CAS indexing provides historical and synonymous terms=> E FIREPROOF MATERIALS+ALL/CTE1 76 --> Fireproof materials/CT HNTE Valid heading during volumes 1-20 (1907-1926) only.E2 31958 NEW Fire-resistant materials/CT********** END **********=> E E2+ALLE1 28139 BT1 Materials/CTE2 31958 --> Fire-resistant materials/CT HNTE Valid heading during volume 21 (1927) to present.E3 1249 OLD Fire-resistant materials, Flame-retardant materials/CTE4 76 OLD Fireproof materials/CT All Used For (UF) termsE5 UF Fire-resistant material/CT All Used For (UF) termsE6 UF Fire-resisting materials/CT are accommodated by are accommodated byE7 UF Fire-retardant materials/CT using the CA index termE8 UF Flame retardants/CT using the CA index termE9 UF Flame-resistant materials/CT Fire-resistant materials Fire-resistant materialsE10 UF Flame-retardant material/CTE11 UF Flame-retardant materials/CTE12 10725 RT Fireproofing/CTE13 36617 RT Fireproofing agents/CTE14 40460 RT Heat-resistant materials/CTE15 37868 RT Refractories/CTE16 RTCS Decabromodiphenyl ether/CTE17 RTCS Phenyl dichlorophosphate/CTE18 RTCS Zinc borate/CT********** END *********CAS is a division of the American Chemical Society. 13 Copyright 2011 American Chemical Society. All rights reserved.
  • 14. April 20, 2011Detailed indexing has also been added to more than50,000 World Traditional Medicine patentsIT Analgesics Ascites CA Indexing includes: Aspongopus • Taxonomic terms Astragalus Atractylodes macrocephala • Disease terms Aucklandia Bupleurum • Substance class terms Cirrhosis • Specific substances Edema Epimedium Fallopia japonica Hepatitis Ligusticum chuanxiong is one Ipomoea of the 50 fundamental herbs in Isatis Ligusticum chuanxiong traditional Chinese medicine. Liver disease Manis Natural products, pharmaceutical MeIT Abdominal disease HO R (abdominal distention) S MeIT Disease, animal Me (asthenia)IT Medical goods R (bags)IT Viral hepatitis (chronic) Borneol (CAS Registry NumberIT 507-70-0 RL: BSU (Biological study 507-70-0) aids in Chuanxiong unclassified); BIOL (Biological study) absorption.CAS is a division of the American Chemical Society. 14 Copyright 2011 American Chemical Society. All rights reserved.
  • 15. April 20, 2011Patent applications are particularly rich sources ofsubstance information Dr. Mark Willi from CAS completes substance indexing 15 days after WIPO publishes the patent CAS chemist analysis of a single PCT application • WO 2009015208 • 917 indexed compounds from Examples and Claims • 576 new compounds added to CAS REGISTRY • 613 single-step reactions • 5,394 reactions with multiple steps • 1,029 reaction participants • Markush structure with 2,119 substituent definitionsCAS is a division of the American Chemical Society. 15 Copyright 2011 American Chemical Society. All rights reserved.
  • 16. Indexing for major patent office documents is addedquickly to the CAS databases ED Entered STN: 04 Mar 2011 AN 2011:271713 CAPLUS Full-text DN 154:259821 TI Six-membered n-heterocyclic carbene-based catalysts for asymmetric reactions IN McQuade, D. Tyler; Park, Jin Kyoon; Rexford, Matthew D.; Lackey, Hershel H. PA Florida State University Research Foundation, USA SO U.S. Pat. Appl. Publ., 22pp. CODEN: USXXCO DT Patent LA English FAN.CNT 1 PATENT NO. KIND DATE APPLICATION NO. DATE --------------- ---- -------- -------------------- -------- PI US 20110054170 A1 20110303 US 2010-870901 20100830 PRAI US 2009-238367P P 20090831 ASSIGNMENT HISTORY FOR US PATENT AVAILABLE IN LSUS DISPLAY FORMAT RN 1266612-72-9 REGISTRY IT 3943-97-3P 1006696-12-3P STN: 07 Mar 20111006696-27-0P 1174919-02-8P ED Entered 1006696-13-4P 1185248-86-5P 1252813-46-9P CN 1252813-47-0P 1252813-48-1P 1,3,2-Dioxaborolane-2-propanoic acid, 4,4,5,5-tetramethyl- 1252813-49-2P 1252813-50-5P 1252813-51-6P .beta.-[4-(2-propen-1- 1252813-52-7P 1266612-72-9P 1266612-73-0P yloxy)phenyl]-, ethyl ester (CA INDEX NAME) RL: SPN (Synthetic preparation); PREP (Preparation) MF C20 H29 B O5 (preparation of six-membered nitrogen-heterocyclic carbene-based SR CA catalysts for asym. reactions) CAPLUS, USPATFULL LC STN Files: CA, O CH2 C OEt O CH2 CH CH2 Me O B CH Me Me O Me
  • 17. April 20, 2011CAS REGISTRY is the complete source for chemicalsubstance information Total Small Molecules in CAS REGISTRY, 2003-2010 60 50 Small Molecules (Millions) 40 30 20 10 0 2003 2004 2005 2006 2007 2008 2009 2010 YearCAS is a division of the American Chemical Society. 17 Copyright 2011 American Chemical Society. All rights reserved.
  • 18. April 20, 2011In 2010, patents contributed 46% of all new smallmolecule registrationsCAS is a division of the American Chemical Society. 18 Copyright 2011 American Chemical Society. All rights reserved.
  • 19. April 20, 2011CAS finds novel compounds in many reputable sources 1,400,000 Total Small Molecules by Source for CAS REGISTRY 1,200,000 Number of Small Molecules 1,000,000 800,000 600,000 400,000 200,000 0 Chemical Libraries Chemical Catalogs Other Sources SourcesCAS is a division of the American Chemical Society. 19 Copyright 2011 American Chemical Society. All rights reserved.
  • 20. April 20, 2011Patents regularly describe substances in ambiguousways: In WO 2007089907, this “desired product” is fullycharacterized CAS RN 203796-03-6CAS is a division of the American Chemical Society. 20 Copyright 2011 American Chemical Society. All rights reserved.
  • 21. April 20, 2011CA indexing also identifies prophetic substances frompatent examples L1 ANSWER 21 OF 75 REGISTRY COPYRIGHT 2011 ACS on STN RN 1259941-53-1 REGISTRY ED Entered STN: 19 Jan 2011 CN 2-Pyrimidinamine, 4-(3-amino-1-azetidinyl)- (CA INDEX NAME) MF C7 H11 N5 SR CA LC STN Files: CA, CAPLUS, TOXCENTER NH 2 NH 2 N N N **PROPERTY DATA AVAILABLE IN THE PROP FORMAT** 1 REFERENCES IN FILE CA (1907 TO DATE) 1 REFERENCES IN FILE CAPLUS (1907 TO DATE)CAS is a division of the American Chemical Society. 21 Copyright 2011 American Chemical Society. All rights reserved.
  • 22. April 20, 2011CAS covers Markush structures in patents • Markush structures are generic representations of substances in claims examples, disclosures, and descriptions in patents • Coverage includes – Organic, organometallic, and oligomeric substances – All languages – ~350,000 patents – ~800,000 Markush structures • ~2.5 Markush structures per patentCAS is a division of the American Chemical Society. 22 Copyright 2011 American Chemical Society. All rights reserved.
  • 23. April 20, 2011Markush structures are typically identified by “Selected from thegroup consisting of…” 1. A compound of formula (I): R1 is a group selected from -CH2OH, - NHCOH- … R3a and R3b are independently selected from the group consisting of… Formula (I)CAS is a division of the American Chemical Society. 23 Copyright 2011 American Chemical Society. All rights reserved.
  • 24. April 20, 2011CAS chemists interpret rich “language” expressions foundin Markush structures in patents Patent MARPAT indexing Claims: 1. In which: A represents an alkylene group G1 = alkylene (opt. substd. by up to that may be substituted by up to 3 halo)/alkenylene (substd. by 1-2 three halogen atoms or is OH) alkenylene substituted by 1-2 G2 = aryl (opt. substd. by up to 5 hydroxy groups; D represents G3)/heteroaryl (opt. substd. by up optionally substituted aryl or heteroaryl group such as phenyl; to 5 G3)/Ph (opt. substd. by up to 5 X represents halo, alkyl, or alkoxy, G3) and n = 0-5; or salts thereofCAS is a division of the American Chemical Society. 24 Copyright 2011 American Chemical Society. All rights reserved.
  • 25. April 20, 2011Now you know how you can find this substance:CAS is a division of the American Chemical Society. 25 Copyright 2011 American Chemical Society. All rights reserved.
  • 26. April 20, 2011Summary• CAS scientists find obscured substances in patents• Patents are an increasingly bountiful source of novel chemistry• Rapid processing of patent information is a CAS priority• CAS databases reflect the changing face of chemistry• CAS keeps current on chemical information trendsCAS is a division of the American Chemical Society. 26 Copyright 2011 American Chemical Society. All rights reserved.
  • 27. April 20, 2011Interested in learning more about CAS at this conference?Please consider attending these CAS sessions on Thursday:• “Key sources for pharmaceutical and chemical literature and patent searching” – Presenter: Elaine Cheeseman, Ph.D., Science IP – Thursday, March 31, 1:30 p.m., Room 213 D, Anaheim Convention Center• “What patent searchers need to know from patent attorneys” – Presenter: Mike Mullican, Ph.D., Science IP – Thursday, March 31, 2:00 p.m., Room 213 D, Anaheim Convention CenterCAS is a division of the American Chemical Society. 27 Copyright 2011 American Chemical Society. All rights reserved.
  • 28. April 20, 2011 Thank You.CAS is a division of the American Chemical Society. 28 Copyright 2011 American Chemical Society. All rights reserved.

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