SCHEMBL22650943

SCHEMBL22650943

C=Cc1[nH]ncc1C(C)C

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 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
SCHEMBL12320671 0.78
SCHEMBL22650357 0.76 TRPA1 (0.30) TRPA1
SCHEMBL21901030 0.73
SCHEMBL21516148 0.70
SCHEMBL4546369 0.69 TRPA1 (0.35) TRPA1
SCHEMBL12354214 0.69
SCHEMBL24459198 0.67 TRPA1 (0.46) TRPA1
SCHEMBL14730581 0.67
SCHEMBL24746876 0.67
SCHEMBL21958446 0.67

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-2020224568-A1 CDK INHIBITORS QILU REGOR THERAPEUTICS INC. (CN) 2020-11-12 WO disclosed