SCHEMBL9163310

SCHEMBL9163310

COP(=O)(OC)C(C)OC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
LMNA P02545 2/20 0.37
CYP2C19 P33261 1/20 0.37
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GALR3 O60755 1/20 0.34
MAPT P10636 1/20 0.34
BLM P54132 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL27714456 0.79 TSHR (0.50) TSHRLMNACYP2C19CHRM2CHRM4
SCHEMBL5697272 0.79 ALDH1A1 (0.43) TSHRLMNACYP2C19ALDH1A1
SCHEMBL2774332 0.76 TSHR (0.41) TSHRLMNACYP2C19CHRM2CHRM4
SCHEMBL28808732 0.75 TSHR (0.50) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL27998922 0.75 TSHR (0.50) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL8416129 0.75 TSHR (0.50) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL28817998 0.74 LMNA (0.39) LMNACYP2C19
SCHEMBL19379136 0.73 TSHR (0.37) TSHRLMNACYP2C19ALDH1A1
Nitrogen SCHEMBL28750624 0.73 TSHR (0.38) TSHRLMNACYP2C19CHRM2CHRM4
SCHEMBL11872906 0.73 LMNA (0.62) LMNACYP2C19ALDH1A1MAPTSMN1; SMN2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116745285-A [ (1-phenyl-5- (heteroaryl) -1H-1,2, 4-triazol-3-yl) oxy ] acetic acid derivatives as safeners for protecting useful plants and crop plants 拜耳公司 2023-09-12 CN disclosed
CN-110461833-A 2- amino -5- oxygroup alkyl derivative and its purposes for preventing and treating undesirable plant growth BAYER CROPSCIENCE AG 2019-11-15 CN disclosed
CN-110392680-A Substituted azolyl pyrrolidones and azolyl hydantoins and salts thereof and their use as herbicidal active substances 拜耳作物科学股份公司 2019-10-29 CN disclosed
CN-110267951-A The purposes of substituted benzyl -4-aminopyridine formic acid esters and pyrimidine -4- formic acid esters, preparation method as well as herbicide and plant growth regulator 拜耳作物科学股份公司 2019-09-20 CN disclosed
CN-109068631-A Solvent-free formulations of low melting active ingredients 拜耳作物科学股份公司 2018-12-21 CN disclosed
CN-103228141-B Substituted fused pyrimidinones and dihydropyrimidinones BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-04-20 CN disclosed
CN-102933083-B The derivative of (1-anocy clopropyl) phenyl phosphinic acid or its ester and/or its salt improve the purposes of plants against abiotic stress tolerance BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-12 CN disclosed
CN-104754942-A Use of substituted benzodiazepine ketones and benzazepine ketones or their salts as active substances against abiotic plant stress BAYER CROPSCIENCE AG 2015-07-01 CN disclosed
US-5475128-A Continuous processing; recirculating catalyst liquid media via an evaporator HOECHST AKTIENGESELLSCHAFT (DE) 1995-12-12 US disclosed
US-5391815-A Solvent extraction with alcohol, ketone or mixture HOECHST AKTIENGESELLSCHAFT (DE) 1995-02-21 US disclosed
US-4894470-A Process for the preparation of dialkyl vinylphosphonates HOECHST AKTIENGESELLSCHAFT (DE) 1990-01-16 US disclosed