SCHEMBL7118591

SCHEMBL7118591

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

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.42
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL10994485 0.78
SCHEMBL10994482 0.78
SCHEMBL11352858 0.77 ALDH1A1 (0.36) TDP1
SCHEMBL11352854 0.77 ALDH1A1 (0.36) TDP1
SCHEMBL18649513 0.77 TRPA1 (0.37) TRPA1
SCHEMBL11126075 0.75
SCHEMBL13683357 0.75
SCHEMBL12014995 0.75
SCHEMBL22337873 0.73
SCHEMBL11695467 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030153483-A1 Concentrated, stable fabric softening composition TRINH TOAN (US) 2003-08-14 US claimed