SCHEMBL52091

SCHEMBL52091

CC(C)(C)CC(=O)CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.43
CHRM1 P11229 1/20 0.43
TBXA2R P21731 1/20 0.43
ADRA1A P35348 1/20 0.43
LDHA P00338 1/20 0.42
SRR Q9GZT4 1/20 0.42
CYP2C19 P33261 2/20 0.42
HIF1A Q16665 2/20 0.42
TSHR P16473 2/20 0.42
CYP2D6 P10635 1/20 0.42
KDM4E B2RXH2 3/20 0.37
FFAR1 O14842 1/20 0.37
CPT2 P23786 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HPGD P15428 2/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
KDM6B O15054 2/20 0.33
KDM5C P41229 2/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL9298951 1.00 HMGCR (0.43) HMGCRCHRM1TBXA2RADRA1ALDHA
Tert-Butanol SCHEMBL9318334 0.95 HMGCR (0.46) HMGCRCHRM1TBXA2RADRA1ALDHA
SCHEMBL14282026 0.85 HMGCR (0.36) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL27761178 0.81 HMGCR (0.48) HMGCRCHRM1TBXA2RADRA1ALDHA
SCHEMBL31555508 0.81 HMGCR (0.48) HMGCRCHRM1TBXA2RADRA1ALDHA
SCHEMBL8762434 0.80 ABCC4 (0.37) HMGCRCHRM1TBXA2RADRA1AKDM4E
SCHEMBL28304893 0.79 HAO1 (0.43) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL818454 0.78 HMGCR (0.40) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL2914546 0.78 KDM4E (0.44) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL23148171 0.77 HMGCR (0.44) HMGCRCHRM1TBXA2RADRA1ALDHA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2223995-B2 CLEANING AGENT FOR REMOVING PAINT LAYERS ON SURFACES, METHOD FOR MANUFACTURING THE AGENT AND CLEANING METHOD INTELLIGENT FLUIDS GMBH (DE) 2024-12-11 EP claimed
US-20240400784-A1 Method for Screening Solvent for Extracting Polyvinyl Chloride, Method for Recycling Waste, Recycled Polyvinyl Chloride, and Composition LG CHEM, LTD. (KR) 2024-12-05 US claimed
US-20240392094-A1 Method for Screening Solvent for Polyvinyl Chloride Extraction, Recycling Method for Waste Material, and Recycled Polyvinyl Chloride and Composition LG CHEM, LTD. (KR) 2024-11-28 US claimed
WO-2024110731-A1 METHOD FOR PURIFYING CHLOROTRIFLUOROETHYLENE BY EXTRACTIVE DISTILLATION ARKEMA FRANCE (FR) 2024-05-30 WO claimed
EP-3652158-B1 METHOD FOR PREPARING PYRIMIDONE COMPOUND SUNSHINE LAKE PHARMA CO LTD (CN) 2024-05-29 EP claimed
EP-3894509-B1 SELF-CURABLE AND LOW TEMPERATURE CURABLE COATING COMPOSITIONS EASTMAN CHEM CO (US) 2024-03-20 EP claimed
EP-3894386-B1 CURABLE COATING COMPOSITIONS EASTMAN CHEM CO (US) 2024-02-21 EP claimed
WO-2023033605-A1 METHOD FOR SCREENING SOLVENT FOR EXTRACTING POLYVINYL CHLORIDE, METHOD FOR RECYCLING WASTE, RECYCLED POLYVINYL CHLORIDE, AND COMPOSITION 주식회사 엘지화학 2023-03-09 WO claimed
WO-2023033601-A1 METHOD FOR SCREENING SOLVENT FOR POLYVINYL CHLORIDE EXTRACTION, RECYCLING METHOD FOR WASTE MATERIAL, AND RECYCLED POLYVINYL CHLORIDE AND COMPOSITION 주식회사 엘지화학 2023-03-09 WO claimed
EP-3055401-B1 USE OF PLURIPHASIC LIQUIDS FOR STRIPPING CROSSLINKED PHOTORESIST INTELLIGENT FLUIDS GMBH (DE) 2022-11-23 EP claimed
EP-0692000-A1 EPOXIDIZED VEGETABLE OIL MODIFICATION OF EPOXY ESTERS SHELL INT RESEARCH (NL) 1996-01-17 EP claimed
US-5441766-A Employing as precursor copper beta-ketoester alone or with Lewis base ligand in presence or absence of hydrogen KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 1995-08-15 US claimed
WO-1995009144-A1 NUTRITIVE WATER SOLUBLE GLYCEROL ESTERS OF HYDROXY BUTYRIC ACID EASTMAN CHEMICAL COMPANY (US) 1995-04-06 WO claimed
WO-1995009145-A1 NUTRITIVE GLYCEROL ESTERS OF β-ACYLOXY BUTYRATES EASTMAN CHEMICAL COMPANY (US) 1995-04-06 WO claimed
WO-1994022954-A1 EPOXIDIZED VEGETABLE OIL MODIFICATION OF EPOXY ESTERS SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1994-10-13 WO claimed
EP-0572463-A1 POLY(ALKYLENE OXIDE) SUBSTITUTED ACETOACETANILIDES. SUN CHEMICAL CORP (US) 1993-12-08 EP claimed
EP-0555589-A1 Vernonia oil modification of epoxy resins SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1993-08-18 EP claimed
US-5227453-A Vernonia oil modification of epoxy resins HI-TEK POLYMERS, INC. (US) 1993-07-13 US claimed
EP-0376859-B1 METHOD FOR FUNCTIONALIZATION OF NUCLEOPHILES EASTMAN KODAK COMPANY (US) 1993-03-31 EP claimed
WO-1992013911-A1 POLY(ALKYLENE OXIDE) SUBSTITUTED ACETOACETANILIDES SUN CHEMICAL CORPORATION (US) 1992-08-20 WO claimed