SCHEMBL8529705

SCHEMBL8529705

CC(CO)CC(C)CC=CO

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.33
TSHR P16473 2/20 0.33

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
SCHEMBL20489112 0.87
SCHEMBL1328939 0.76
SCHEMBL45749 0.76
SCHEMBL4583667 0.73 TSHR (0.43) TRPA1TSHR
SCHEMBL4583661 0.73 TSHR (0.43) TRPA1TSHR
SCHEMBL2381959 0.73 TSHR (0.47) TRPA1TSHR
SCHEMBL27415706 0.73 TSHR (0.47) TRPA1TSHR
SCHEMBL2138136 0.72
SCHEMBL13679461 0.72
SCHEMBL2138137 0.72

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