SCHEMBL190306

SCHEMBL190306

CCCC(OC(C)=O)OC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
CHRM1 P11229 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
AKR1A1 P14550 1/20 0.40
CHRM3 P20309 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40
DRD3 P35462 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
CYP3A4 P08684 2/20 0.39
NFKB1 P19838 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
TBXA2R P21731 1/20 0.38
ALDH1A1 P00352 2/20 0.38

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
SCHEMBL159210 0.88 TSHR (0.39) TSHRCHRM1TDP1AKR1A1CHRM3
SCHEMBL3030080 0.86 TSHR (0.37) TSHRCHRM1TDP1AKR1A1CHRM3
SCHEMBL10782810 0.86 TSHR (0.50) TSHRCHRM1TDP1HRH1CHRM2
SCHEMBL23161039 0.85 TSHR (0.33) TSHRCHRM1TDP1AKR1A1CHRM3
SCHEMBL11140994 0.85 ALDH1A1 (0.44) TSHRALDH1A1LMNAPRKCAFDPS
SCHEMBL3033507 0.84 TSHR (0.36) TSHRCHRM1TDP1AKR1A1CHRM3
SCHEMBL2252304 0.84 TSHR (0.46) TSHRCHRM1TDP1AKR1A1CHRM3
SCHEMBL27813096 0.84 TSHR (0.40) TSHRCHRM1TDP1AKR1A1CHRM3
SCHEMBL8004205 0.83 SMPD1 (0.48) ALDH1A1MAPTPRKCAFAAH
SCHEMBL6897262 0.82 TSHR (0.42) TSHRCHRM1TDP1HRH1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119120126-A Solvent type cleaning agent for replacing dichloromethane and manufacturing method and application thereof 上海九盛实业有限公司 2024-12-13 CN claimed
CN-107774255-B 1,4- diacetoxy butylene hydroprocessing catalysts 中国石油化工股份有限公司 2019-11-08 CN claimed
CN-107790182-B 1,4- diacetoxy butylene hydrogenation process catalyst 中国石油化工股份有限公司 2019-11-08 CN claimed
CN-107774250-B Catalyst for 1,4- diacetoxy butylene hydrogenation technique 中国石油化工股份有限公司 2019-10-11 CN claimed
CN-108014794-B Synthesize hydrogenation catalyst used in 1,4- diacetoxy butane 中国石油化工股份有限公司 2019-10-11 CN claimed
CN-107774336-B Catalyst for 1,4- diacetoxy butylene hydrogenation process 中国石油化工股份有限公司 2019-10-08 CN claimed
US-9594073-B2 Test solvent for evaluating the compatibility of biologically active substances and graft copolymers ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2017-03-14 US claimed
US-20130118238-A1 TEST SOLVENT FOR EVALUATING THE COMPATIBILITY OF BIOLOGICALLY ACTIVE SUBSTANCES AND GRAFT COPOLYMERS ABBOTT GMBH & CO. KG (DE) 2013-05-16 US claimed
EP-2536393-A2 TEST SOLVENT FOR EVALUATING THE COMPATIBILITY OF BIOLOGICALLY ACTIVE SUBSTANCES AND GRAFT COPOLYMERS Abbott GmbH & Co. KG (DE) 2012-12-26 EP claimed
WO-2011101352-A2 TEST SOLVENT FOR EVALUATING THE COMPATIBILITY OF BIOLOGICALLY ACTIVE SUBSTANCES AND GRAFT COPOLYMERS ABBOTT GMBH & CO. KG (DE) 2011-08-25 WO claimed
EP-0312921-B1 PROCESS FOR THE PREPARATION OF UNSATURATED MONOESTERS BASF Aktiengesellschaft (DE) 1993-06-23 EP claimed
US-5196571-A From the diester, zeolites and phospates as decarboxylation catalysts BASF AKTIENGESELLSCHAFT (DE) 1993-03-23 US claimed
US-4596886-A Plasticizer MITSUBISHI MONSANTO CHEMICAL COMPANY (JP) 1986-06-24 US claimed
EP-0010702-B1 PROCESS FOR THE MANUFACTURE OF BUTENEDIOL DIACETATES AND BUTANEDIOL FROM BUTADIENE BASF Aktiengesellschaft (DE) 1981-08-05 EP claimed
US-4228301-A BY CATALYTIC OXIDATION OF BUTADIENE REACTED WITH ACETIC ACID JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1980-10-14 US claimed
US-4225729-A Process for hydrogenation of diacetoxybutene MITSUBISHI CHEMICAL INDUSTRIES, LIMITED (JP) 1980-09-30 US claimed
EP-0010702-A1 Process for the manufacture of butenediol diacetates and butanediol from butadiene BASF Aktiengesellschaft (DE) 1980-05-14 EP claimed
US-4152525-A ABSORPTION IN ACETIC ACID, RECYCLING, HYDROLYSIS MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1979-05-01 US claimed
US-4062900-A OR BUTENEDIOLHYDROLYZING DIACETOXY-BUTANE OR BUTENE MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) 1977-12-13 US claimed
US-4010197-A Process for producing diacetoxybutanes and butanediols MITSUBISHI CHEMICAL INDUSTRIES LTD. (JA) 1977-03-01 US claimed