SCHEMBL11272259

SCHEMBL11272259

CC(C)(CC#N)C1(C#N)CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 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
SCHEMBL4968787 0.75 ALDH1A1 (0.40) ALDH1A1
SCHEMBL4738792 0.72 ALDH1A1 (0.36) ALDH1A1
SCHEMBL28959862 0.71 ALDH1A1 (0.37) ALDH1A1
SCHEMBL2864827 0.71 ALDH1A1 (0.42) ALDH1A1
SCHEMBL841368 0.68 ALDH1A1 (0.31) ALDH1A1
SCHEMBL1091612 0.67 ALDH1A1 (0.31) ALDH1A1
SCHEMBL24767576 0.67
SCHEMBL23641488 0.67 TAAR1 (0.36) ALDH1A1
SCHEMBL25939607 0.62 TSHR (0.31)
SCHEMBL1090984 0.61

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4354981-A Method for synthesizing dinitriles, products obtained thereby and their derivatives ANIC, S.P.A. (IT) 1982-10-19 US disclosed
US-4279834-A REACTING AN ALPHA, BETA SATURATED VITRILE WITH AN ALPHA, BETA UNSATURATED NITRILE ANIC S.P.A. (IT) 1981-07-21 US disclosed