SCHEMBL58831

SCHEMBL58831

CCCNC(C)C

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
SCHEMBL27362251 0.97
SCHEMBL23319707 0.97
Hydrochloric Acid SCHEMBL6012070 0.97
Alcohol SCHEMBL28582241 0.91 LMNA (0.36)
SCHEMBL18551186 0.82 ALDH1A1 (0.35)
SCHEMBL18553054 0.82 ALDH1A1 (0.35)
SCHEMBL14952396 0.82 ALDH1A1 (0.35)
SCHEMBL272858 0.81 TDP1 (0.36)
SCHEMBL269744 0.80
SCHEMBL8940018 0.80

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

Appears in 3605 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12550901-B2 Compositions containing glufosinate and a synthetic auxin herbicide CORTEVA AGRISCIENCE LLC (US) 2026-02-17 US claimed
US-12415779-B2 Processes of making 3-fluoro-5-(((1S,2aR)-1,3,3,4,4-pentafluoro-2a-hydroxy-2,2a,3,4-tetrahydro-1H-cyclopenta[cd]inden-7-yl)oxy)-benzonitrile and polymorphs thereof NIKANG THERAPEUTICS, INC. (US) 2025-09-16 US claimed
EP-4107198-B1 POLYISOCYANATE PREPARATIONS COVESTRO DEUTSCHLAND AG (DE) 2024-03-13 EP claimed
EP-3560975-B2 IONICALLY HYDROPHILIZED POLYISOCYANATES AND ANTIOXIDANTS COVESTRO INTELLECTUAL PROPERTY GMBH & CO KG (DE) 2023-12-06 EP claimed
EP-3724251-B2 IONICALLY HYDROPHILIZED POLYISOCYANATES, WATER CONTENT COVESTRO INTELLECTUAL PROPERTY GMBH & CO KG (DE) 2023-11-22 EP claimed
EP-3851472-B1 IONICALLY HYDROPHILIZED POLYISOCYANATES, WATER CONTENT COVESTRO INTELLECTUAL PROPERTY GMBH & CO KG (DE) 2023-06-07 EP claimed
WO-2023070483-A1 PROCESSES OF MAKING 3-FLUORO-5- ( ( (1R, 2S, 2aS) -1, 2, 3, 3, 4, 4-HEXAFLUORO-2A-HYDROXY-2, 2A, 3, 4-TETRAHYDRO-1H-CYCLOPENTA [CD] INDEN-7-YL) -OXY) -BENZONITRILE AND POLYMORPHS THEREOF NIKANG THERAPEUTICS, INC. (US) 2023-05-04 WO claimed
WO-2023060431-A1 PROCESSES OF MAKING 3-FLUORO-5- ( ( (1S, 2AR) -1, 3, 3, 4, 4-PENTAFLUORO-2A-HYDROXY-2, 2A, 3, 4-TETRAHYDRO-1H-CYCLOPENTA [CD] INDEN-7-YL) OXY) -BENZONITRILE AND POLYMORPHS THEREOF NIKANG THERAPEUTICS, INC. (US) 2023-04-20 WO claimed
WO-2023060458-A1 PROCESSES OF MAKING 3-FLUORO-5- ( ( (1S, 2AR) -1, 3, 3, 4, 4-PENTAFLUORO-2A-HYDROXY-2, 2A, 3, 4-TETRAHYDRO-1H-CYCLOPENTA [CD] INDEN-7-YL) OXY) -BENZONITRILE AND POLYMORPHS THEREOF NIKANG THERAPEUTICS, INC. (US) 2023-04-20 WO claimed
EP-4107198-A1 POLYISOCYANATE PREPARATIONS Covestro Deutschland AG (DE) 2022-12-28 EP claimed
EP-1372824-B1 PROCESS FOR DEHYDRATING GAS BP EXPLORATION OPERATING (GB) 2004-08-11 EP claimed
US-20040139855-A1 Process for dehydrating gas BP EXPLORATION OPERATING COMPANY LIMITED (GB) 2004-07-22 US claimed
CN-1513441-A Injection of diisoprapylamine dichloropacetate for treating liver function damage, and its prepn. technique 南昌弘益科技有限公司 2004-07-21 CN claimed
EP-1372824-A1 PROCESS FOR DEHYDRATING GAS BP EXPLORATION OPERATING COMPANY LIMITED (GB) 2004-01-02 EP claimed
CN-1439363-A Dichloroacetic acid diisopropylamine oral preparation and its preparation process-treatment of liver function injury HONGYI SCIENCE & TECHNOLOGY CO (CN) 2003-09-03 CN claimed
WO-2002081062-A1 PROCESS FOR DEHYDRATING GAS BP EXPLORATION OPERATING COMPANY LIMITED (GB) 2002-10-17 WO claimed
EP-0536515-B1 Novel 7-substituted-9-substituted amino-6-demethyl-6-deoxytetracyclines AMERICAN CYANAMID CO (US) 2001-12-19 EP claimed
EP-0740666-B1 SUBSTITUTED 1,2,3,4-TETRAHYDRO-5-NITRO PYRIMIDINES BAYER AG (DE) 1999-11-10 EP claimed
EP-0419963-B1 1,2,3,4-Tetrahydro-5-nitropyrimidine derivatives BAYER AG (DE) 1994-12-07 EP claimed
EP-0419963-A2 1,2,3,4-Tetrahydro-5-nitropyrimidine derivatives BAYER AG (DE) 1991-04-03 EP claimed