SCHEMBL9577435

SCHEMBL9577435

CC(=CC(C)(O)CO)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
PTGS1 P23219 1/20 0.30
TET2 Q6N021 1/20 0.30
AKR1C3 P42330 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
SCHEMBL7717936 1.00 HMGCR (0.32) HMGCRCHRM1TBXA2RADRA1AALDH1A1
SCHEMBL15053281 0.82 HMGCR (0.32) HMGCRCHRM1TBXA2RADRA1AALDH1A1
SCHEMBL15053282 0.82 HMGCR (0.32) HMGCRCHRM1TBXA2RADRA1AALDH1A1
SCHEMBL4202200 0.79 PTGS1 (0.31) PTGS1AKR1C3
SCHEMBL14675185 0.79 PTGS1 (0.31) PTGS1AKR1C3
SCHEMBL7626816 0.76 OR51E2 (0.33) PTGS1AKR1C3
SCHEMBL3360268 0.76 PTGS1 (0.32) PTGS1AKR1C3
SCHEMBL2716961 0.76 PTGS1 (0.32) PTGS1AKR1C3
Ethylene Glycol SCHEMBL1230351 0.76
Ethylene Glycol SCHEMBL707152 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0298611-B1 POLYURETHANES AND POLYURETHANE/POLYUREAS CROSSLINKED USING 2-GLYCERYL ACRYLATE OR 2-GLYCERYL METHACRYLATE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-08-04 EP claimed
EP-0298611-B1 POLYURETHANES AND POLYURETHANE/POLYUREAS CROSSLINKED USING 2-GLYCERYL ACRYLATE OR 2-GLYCERYL METHACRYLATE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-08-04 EP disclosed
EP-0298611-B1 POLYURETHANES AND POLYURETHANE/POLYUREAS CROSSLINKED USING 2-GLYCERYL ACRYLATE OR 2-GLYCERYL METHACRYLATE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-08-04 EP disclosed
EP-0298611-A2 Polyurethanes and polyurethane/polyureas crosslinked using 2-glyceryl acrylate or 2-glyceryl methacrylate MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1989-01-11 EP disclosed
EP-0298611-A2 Polyurethanes and polyurethane/polyureas crosslinked using 2-glyceryl acrylate or 2-glyceryl methacrylate MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1989-01-11 EP disclosed
US-4786657-A BINDERS, DRESSINGS, MEMBRANES, PROTECTIVE COATINGS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1988-11-22 US disclosed