SCHEMBL2563519

SCHEMBL2563519

CCN(C=CCCC#N)CC

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL27912413 0.78 ALDH1A1 (0.40) ALDH1A1TSHR
SCHEMBL28024573 0.77 CYP1A2 (0.39) ALDH1A1TSHR
SCHEMBL27912378 0.76
SCHEMBL516486 0.72 TSHR (0.32) ALDH1A1TSHR
SCHEMBL516487 0.72 TSHR (0.32) ALDH1A1TSHR
SCHEMBL8323691 0.71 ALDH1A1 (0.56) ALDH1A1TSHRTDP1
SCHEMBL8323693 0.71 ALDH1A1 (0.56) ALDH1A1TSHRTDP1
SCHEMBL9968797 0.70
SCHEMBL28466243 0.70
SCHEMBL30099453 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2382240-A2 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP Bridgestone Corporation (JP) 2011-11-02 EP disclosed
WO-2010085622-A9 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2010-12-23 WO disclosed
WO-2010085622-A2 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2010-07-29 WO disclosed