SCHEMBL7555523

SCHEMBL7555523

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

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
PTGS1 P23219 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
SCHEMBL1074949 0.75 ALDH1A1 (0.38) ALDH1A1TSHRPTGS1AKR1C3
SCHEMBL6726270 0.75 ALDH1A1 (0.38) ALDH1A1TSHRPTGS1AKR1C3
Hydrochloric Acid SCHEMBL6058415 0.73 ALDH1A1 (0.32) ALDH1A1TSHRPTGS1AKR1C3
SCHEMBL6571066 0.72 PTGS1 (0.36) ALDH1A1TSHRPTGS1AKR1C3
SCHEMBL6571057 0.72 PTGS1 (0.36) ALDH1A1TSHRPTGS1AKR1C3
SCHEMBL22811 0.72 GRIK1 (0.39) ALDH1A1TSHRPTGS1AKR1C3
SCHEMBL27166 0.72 GRIK1 (0.39) ALDH1A1TSHRPTGS1AKR1C3
SCHEMBL29129689 0.71 ALDH1A1 (0.35) ALDH1A1TSHRPTGS1AKR1C3
SCHEMBL333736 0.71
SCHEMBL17309773 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0966494-B1 TRAFFIC PAINT COMPOSITIONS AND METHOD FOR REDUCING THE DELAY FOR RESUMPTION OF TRAFFIC ON A NEWLY MARKED ROAD APPLIC ROUTIERES S A S SOC D (FR) 2002-07-03 EP disclosed
EP-0966494-A1 TRAFFIC PAINT COMPOSITIONS AND METHOD FOR REDUCING THE DELAY FOR RESUMPTION OF TRAFFIC ON A NEWLY MARKED ROAD Société d'Applications Routières (S.A.S.) (FR) 1999-12-29 EP disclosed
WO-1998040424-A1 TRAFFIC PAINT COMPOSITIONS AND METHOD FOR REDUCING THE DELAY FOR RESUMPTION OF TRAFFIC ON A NEWLY MARKED ROAD SOCIETE D'APPLICATIONS ROUTIERES (S.A.S.) (FR) 1998-09-17 WO disclosed