SCHEMBL9504482

SCHEMBL9504482

C=CC(=O)OCC(O)COC(=O)C=O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.55
ALDH1A1 P00352 5/20 0.43
TP53 P04637 3/20 0.43
HIF1A Q16665 3/20 0.43
CYP3A4 P08684 3/20 0.43
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 2/20 0.39
MAPK1 P28482 1/20 0.39
THRB P10828 2/20 0.33
USP2 O75604 1/20 0.33
MAPT P10636 1/20 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
SCHEMBL95157 0.91 TSHR (0.64) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL1723604 0.85 TSHR (0.57) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL347559 0.85 TSHR (0.57) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL20686299 0.84 TSHR (0.52) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL27655410 0.83 TSHR (0.55) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL9656482 0.82 TSHR (0.53) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL3412116 0.82 TSHR (0.53) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL4076455 0.82 TSHR (0.59) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL12702903 0.82 TSHR (0.53) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL12629198 0.82 TSHR (0.57) TSHRALDH1A1TP53HIF1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0384091-B1 GLYCEROL DERIVATIVES, THEIR PREPARATION PROCESS, CROSS-LINKING COMPOSITIONS CONTAINING THEM AND THEIR USE IN THE TEXTILE INDUSTRY SOCIETE FRANCAISE HOECHST (FR) 1993-07-14 EP claimed
US-5157090-A Glycerol derivatives, their preparation process, cross-linking compositions containing them, and their use in the textile industry SOCIETE FRANCAISE HOECHST (FR) 1992-10-20 US claimed
US-5093518-A Crease resistance, solvent resistance, wear resistance SOCIETE FRANCAISE HOECHST (FR) 1992-03-03 US claimed
US-5157090-A Glycerol derivatives, their preparation process, cross-linking compositions containing them, and their use in the textile industry SOCIETE FRANCAISE HOECHST (FR) 1992-10-20 US disclosed
US-5093518-A Crease resistance, solvent resistance, wear resistance SOCIETE FRANCAISE HOECHST (FR) 1992-03-03 US disclosed