SCHEMBL7909385

SCHEMBL7909385

CCC(C)CC(C)(C)C(O)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
TRPA1 O75762 1/20 0.39

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
SCHEMBL28170259 0.81 TRPA1 (0.39) TSHRTRPA1
SCHEMBL457763 0.80 TSHR (0.38) TSHR
SCHEMBL10773007 0.74 TRPA1 (0.45) TSHRTRPA1
SCHEMBL21925365 0.74
SCHEMBL14401846 0.74 TRPA1 (0.45) TSHRTRPA1
SCHEMBL25308327 0.73 TRPA1 (0.34) TSHRTRPA1
SCHEMBL20609975 0.72
SCHEMBL19436347 0.72
Alcohol SCHEMBL6578240 0.70 TRPA1 (0.42) TSHRTRPA1
SCHEMBL2904999 0.70

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
WO-2010065174-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS LEAD THERAPEUTICS, INC. (US) 2010-06-10 WO disclosed