SCHEMBL9627115

SCHEMBL9627115

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

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
TRPA1 O75762 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL16100685 0.79 TRPA1 (0.35) TRPA1
SCHEMBL11883270 0.76 PTGS1 (0.37) TDP1TRPA1
SCHEMBL20721697 0.74 TRPA1 (0.45) TDP1TRPA1MAPK1
SCHEMBL17072023 0.74 TRPA1 (0.45) TDP1TRPA1MAPK1
SCHEMBL19645 0.74 TRPA1 (0.45) TDP1TRPA1MAPK1
SCHEMBL5886044 0.73 DPP4 (0.35)
SCHEMBL10818718 0.72 TRPA1 (0.43) TDP1TRPA1
SCHEMBL9653938 0.71 TDP1 (0.31) TDP1
Alcohol SCHEMBL6578240 0.70 TRPA1 (0.42) TDP1TRPA1
Ethylene Glycol SCHEMBL2832859 0.70 TRPA1 (0.42) TDP1TRPA1

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-0278710-B1 REACTION SYSTEM FOR PREPARATION OF DEFORMABLE POLYURETHANES ICI AMERICAS INC. (US) 1992-04-29 EP disclosed
EP-0255371-B1 POLYUREAS PREPARED FROM A MIXTURE OF POLYAMINES AND A POLYISOCYANATE ICI AMERICAS INC. (US) 1992-03-25 EP disclosed
US-4798862-A Polyureas prepared from a mixture of polyamines and polyisocyanate ICI AMERICAS INC. (US) 1989-01-17 US disclosed
EP-0278710-A2 Reaction system for preparation of deformable polyurethanes ICI AMERICAS INC. (US) 1988-08-17 EP disclosed
EP-0255371-A1 Polyureas prepared from a mixture of polyamines and a polyisocyanate ICI AMERICAS INC. (US) 1988-02-03 EP disclosed
US-4719247-A Deformable polyurethane having improved cure time ICI AMERICAS INC. (US) 1988-01-12 US disclosed