SCHEMBL7790000

SCHEMBL7790000

C=CC(=O)OCC(CO)OC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.50
PRKCA P17252 3/20 0.41
ALDH1A1 P00352 4/20 0.40
TP53 P04637 3/20 0.40
HIF1A Q16665 3/20 0.40
CYP3A4 P08684 2/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL707088 0.89 TSHR (0.53) TSHRPRKCAALDH1A1TP53HIF1A
SCHEMBL3000627 0.87 TSHR (0.52) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL1444732 0.85 PRKCA (0.42) TSHRPRKCAALDH1A1TP53HIF1A
SCHEMBL9505710 0.84 TSHR (0.48) TSHRPRKCAALDH1A1TP53HIF1A
Methacrylic Acid SCHEMBL27698597 0.82 TSHR (0.47) TSHRPRKCA
SCHEMBL2266760 0.80 PRKCA (0.48) PRKCA
SCHEMBL30585906 0.80 PRKCA (0.48) PRKCA
SCHEMBL336611 0.80 TSHR (0.49) TSHRPRKCA
SCHEMBL11781129 0.79 TSHR (0.57) TSHRPRKCAALDH1A1TP53HIF1A
SCHEMBL10804426 0.78 TSHR (0.60) TSHRPRKCAALDH1A1TP53HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0951496-B1 ALKYD AND ARALKYD DERIVATIVES OF PHENOLIC POLYMERS GEORGIA PACIFIC RESINS (US) 2001-12-19 EP disclosed
EP-0951496-A2 ALKYD AND ARALKYD DERIVATIVES OF PHENOLIC POLYMERS GEORGIA-PACIFIC RESINS, INC. (US) 1999-10-27 EP disclosed
WO-1998030596-A2 ALKYD AND ARALKYD DERIVATIVES OF PHENOLIC POLYMERS GEORGIA-PACIFIC RESINS, INC. (US) 1998-07-16 WO disclosed
US-5770750-A Alkyd and aralkyd derivatives of phenolic polymers GEORGIA-PACIFIC RESINS, INC. (US) 1998-06-23 US disclosed