SCHEMBL8518856

SCHEMBL8518856

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

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL8063819 1.00 ALDH1A1 (0.35) ALDH1A1
SCHEMBL9009843 0.82 ALDH1A1 (0.35) ALDH1A1
SCHEMBL16506578 0.81 ALDH1A1 (0.44) ALDH1A1
SCHEMBL16506576 0.81 ALDH1A1 (0.44) ALDH1A1
SCHEMBL942494 0.76 ALOX15 (0.40)
SCHEMBL942493 0.76 ALOX15 (0.40)
SCHEMBL8602453 0.76 ALOX15 (0.31) ALDH1A1
SCHEMBL12025428 0.74
SCHEMBL12025438 0.74
SCHEMBL11388076 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0918842-A1 SUBSTANTIALLY ODOR-FREE POLYHYDROXYL SOLVENTS THE PROCTER & GAMBLE COMPANY (US) 1999-06-02 EP disclosed
WO-1998002513-A1 SUBSTANTIALLY ODOR-FREE POLYHYDROXYL SOLVENTS THE PROCTER & GAMBLE COMPANY (US) 1998-01-22 WO disclosed