SCHEMBL8528012

SCHEMBL8528012

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

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.37

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
SCHEMBL29216379 0.83 TRPA1 (0.37) TRPA1
SCHEMBL296671 0.76 TRPA1 (0.38) TRPA1
SCHEMBL14060452 0.76 ALOX15 (0.39) TRPA1
SCHEMBL346930 0.76 TRPA1 (0.38) TRPA1
SCHEMBL14146580 0.76 ALOX15 (0.39) TRPA1
SCHEMBL14060451 0.76 ALOX15 (0.39) TRPA1
SCHEMBL18425121 0.76 ALOX15 (0.39) TRPA1
SCHEMBL5909404 0.74
SCHEMBL5909402 0.74
SCHEMBL8595604 0.70 TRPA1 (0.41) TRPA1

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
CN-1219953-A Fabric softening compound/composition PROCTER & GAMBLE (US) 1999-06-16 CN disclosed
CN-1196082-A Concentrated stable fabric softening compositions comprising chelants PROCTER & GAMBLE (US) 1998-10-14 CN disclosed
US-5747443-A BIODEGRADABLE QUATERNARY AMMONIUM COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1998-05-05 US disclosed