SCHEMBL14434752

SCHEMBL14434752

C=C(CC#N)CC(C)C#N

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 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
SCHEMBL10959155 0.85 TSHR (0.40) TSHR
SCHEMBL60294 0.77 TSHR (0.45) TSHR
SCHEMBL11078689 0.74 TSHR (0.32) TSHR
SCHEMBL13039751 0.74
SCHEMBL10959663 0.73
SCHEMBL1226838 0.71
SCHEMBL21218816 0.71 TSHR (0.33) TSHR
SCHEMBL10535995 0.71
SCHEMBL11146687 0.70 TSHR (0.42) TSHR
SCHEMBL59615 0.70 TSHR (0.38) TSHR

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-2007093240-A1 PROCESS FOR PREPARING AMINES BY CONDITIONING THE CATALYST WITH AMMONIA EVONIK DEGUSSA GMBH (DE) 2007-08-23 WO disclosed