SCHEMBL3499736

SCHEMBL3499736

CCC(C)(O)CC#N

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16889132 1.00
SCHEMBL16889133 1.00
SCHEMBL2973761 0.85
SCHEMBL5590844 0.78
SCHEMBL14587933 0.74 MEN1 (0.33)
SCHEMBL11377050 0.74 FDPS (0.38)
SCHEMBL457883 0.73
Water SCHEMBL17800994 0.73
SCHEMBL8921485 0.72
SCHEMBL27433038 0.72

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116348455-A Protein tyrosine phosphatase inhibitors and methods of use thereof 卡里科生命科学有限责任公司 2023-06-27 CN claimed
US-7091011-B2 3-hydroxycarboxylic acid production and use in branched polymers E. I. DU PONT DE NEMOURS AND COMPANY (US) 2006-08-15 US claimed
US-20030170837-A1 3-hydroxycarboxylic acid production and use in branched polymers AXALTA COATING SYSTEMS IP CO. LLC (FORMERLY KNOWN AS U.S. COATINGS IP CO. LLC) 2003-09-11 US claimed
US-20030166180-A1 3-Hydroxycarboxylic acid production and use in branched polymers AXALTA COATING SYSTEMS IP CO. LLC (FORMERLY KNOWN AS U.S. COATINGS IP CO. LLC) 2003-09-04 US claimed
EP-1309715-A2 3-HYDROXYCARBOXYLIC ACID PRODUCTION AND USE IN BRANCHED POLYMERS E.I. Dupont de Nemours and Company (US) 2003-05-14 EP claimed
US-6562603-B2 Forming hydroxy group containing acid from hydroxy groupcontaining nitrile; polylactones E. I. DU PONT DE NEMOURS AND COMPANY 2003-05-13 US claimed
US-20020039770-A1 3-Hydroxycarboxylic acid production and use in branched polymers AXALTA COATING SYSTEMS IP CO. LLC (FORMERLY KNOWN AS U.S. COATINGS IP CO. LLC) 2002-04-04 US claimed
WO-2002012530-A2 3-HYDROXYCARBOXYLIC ACID PRODUCTION AND USE IN BRANCHED POLYMERS E.I. DUPONT DE NEMOURS AND COMPANY (US) 2002-02-14 WO claimed
CN-122036597-A Compound, preparation method thereof, electrolyte and lithium ion battery 蓝固(淄博)新能源科技有限公司 2026-05-15 CN disclosed
CN-116348455-A Protein tyrosine phosphatase inhibitors and methods of use thereof 卡里科生命科学有限责任公司 2023-06-27 CN disclosed
US-20100143989-A1 Production Of 3-Hydroxycarboxylic Acid Using Nitrilase Mutants E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-06-10 US disclosed
EP-1778840-B1 PRODUCTION OF 3-HYDROXYCARBOXYLIC ACID USING NITRILASE MUTANTS DU PONT (US) 2008-06-11 EP disclosed
US-7358071-B2 Production of 3-hydroxycarboxylic acid using nitrilase mutants E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-04-15 US disclosed
US-20070117192-A1 Production of 3-hydroxycarboxylic acid using nitrilase mutants PURETECH SCIENTIFIC LLC 2007-05-24 US disclosed
US-20030170837-A1 3-hydroxycarboxylic acid production and use in branched polymers AXALTA COATING SYSTEMS IP CO. LLC (FORMERLY KNOWN AS U.S. COATINGS IP CO. LLC) 2003-09-11 US disclosed
US-20030166180-A1 3-Hydroxycarboxylic acid production and use in branched polymers AXALTA COATING SYSTEMS IP CO. LLC (FORMERLY KNOWN AS U.S. COATINGS IP CO. LLC) 2003-09-04 US disclosed
EP-1309715-A2 3-HYDROXYCARBOXYLIC ACID PRODUCTION AND USE IN BRANCHED POLYMERS E.I. Dupont de Nemours and Company (US) 2003-05-14 EP disclosed
US-6562603-B2 Forming hydroxy group containing acid from hydroxy groupcontaining nitrile; polylactones E. I. DU PONT DE NEMOURS AND COMPANY 2003-05-13 US disclosed
US-20020039770-A1 3-Hydroxycarboxylic acid production and use in branched polymers AXALTA COATING SYSTEMS IP CO. LLC (FORMERLY KNOWN AS U.S. COATINGS IP CO. LLC) 2002-04-04 US disclosed
WO-2002012530-A2 3-HYDROXYCARBOXYLIC ACID PRODUCTION AND USE IN BRANCHED POLYMERS E.I. DUPONT DE NEMOURS AND COMPANY (US) 2002-02-14 WO disclosed