SCHEMBL21117527

SCHEMBL21117527

C=CC(=O)OCCCS(=O)(=O)OC

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.57
ALDH1A1 P00352 4/20 0.57
CYP3A4 P08684 2/20 0.57
HPGD P15428 1/20 0.56
TP53 P04637 3/20 0.47
HIF1A Q16665 3/20 0.47
HSD17B10 Q99714 1/20 0.47
THRB P10828 2/20 0.40
ATM Q13315 1/20 0.37
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HCAR2 Q8TDS4 3/20 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
SCHEMBL10150492 0.89 TSHR (0.50) TSHRALDH1A1CYP3A4HPGDTP53
Ammonia Solution, Strong SCHEMBL27998393 0.87 TSHR (0.48) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL24464391 0.86 TSHR (0.53) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL23014503 0.82 TSHR (0.57) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL15827959 0.82 TSHR (0.57) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL4774447 0.81 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL5610913 0.80 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL6275702 0.80 TSHR (0.46) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL14882 0.79 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL25068790 0.79 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3008096-B1 PARTICLES FOR ELECTROPHORETIC DISPLAYS MERCK PATENT GMBH (DE) 2019-06-26 EP disclosed
CN-106462094-A Toner binder and toner 三洋化成工业株式会社 2017-02-22 CN disclosed
CN-104023756-B Absorbent commodity LIVEDO CORP. (JP) 2016-03-30 CN disclosed
CN-104736115-A Absorbent article LIVEDO CORP 2015-06-24 CN disclosed
CN-104736116-A Absorbent article LIVEDO CORP 2015-06-24 CN disclosed
CN-104582659-A Absorbent body and absorbent article using same LIVEDO CORP 2015-04-29 CN disclosed
CN-104582658-A Absorbent body and absorbent article using same LIVEDO CORP 2015-04-29 CN disclosed
CN-104507437-A Absorbent article LIVEDO CORP 2015-04-08 CN disclosed
CN-104220035-A Absorbent article comprising water -absorbent resin powder LIVEDO CORP 2014-12-17 CN disclosed