SCHEMBL820231

SCHEMBL820231

C#CC(C#N)C(C#N)CCC#N

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.30
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
SCHEMBL17935656 0.77 TSHR (0.52) TSHRALDH1A1TDP1
SCHEMBL23388981 0.73 TSHR (0.39) TSHRALDH1A1TDP1
SCHEMBL24783557 0.72 TSHR (0.42) TSHRALDH1A1TDP1
SCHEMBL28409446 0.71
SCHEMBL820514 0.71
SCHEMBL2566684 0.71 TSHR (0.37) TSHRALDH1A1TDP1
SCHEMBL23388975 0.70 TSHR (0.36) TSHRALDH1A1TDP1
SCHEMBL23388988 0.70 TSHR (0.36) TSHRALDH1A1TDP1
SCHEMBL22980647 0.70 TSHR (0.36) TSHRALDH1A1TDP1
SCHEMBL23388956 0.70 TSHR (0.36) TSHRALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2382241-B1 POLYMERS FUNCTIONALIZED WITH POLYCYANO COMPOUNDS BRIDGESTONE CORP (JP) 2016-11-23 EP claimed
US-8785566-B2 Polymers functionalized with polycyano compounds BRIDGESTONE CORPORATION (JP) 2014-07-22 US claimed
US-10081688-B2 Polymers functionalized with polycyano compounds BRIDGESTONE CORPORATION (JP) 2018-09-25 US disclosed
US-20170002112-A1 POLYMERS FUNCTIONALIZED WITH POLYCYANO COMPOUNDS BRIDGESTONE CORPORATION (JP) 2017-01-05 US disclosed
EP-2382241-B1 POLYMERS FUNCTIONALIZED WITH POLYCYANO COMPOUNDS BRIDGESTONE CORP (JP) 2016-11-23 EP disclosed
US-9447213-B2 Polymers functionalized with polycyano compounds BRIDGESTONE CORPORATION (JP) 2016-09-20 US disclosed
US-20140275403-A1 POLYMERS FUNCTIONALIZED WITH POLYCYANO COMPOUNDS BRIDGESTONE CORPORATION (JP) 2014-09-18 US disclosed
US-8785566-B2 Polymers functionalized with polycyano compounds BRIDGESTONE CORPORATION (JP) 2014-07-22 US disclosed
US-20110288200-A1 POLYMERS FUNCTIONALIZED WITH POLYCYANO COMPOUNDS BRIDGESTONE CORPORATION (JP) 2011-11-24 US disclosed
EP-2382241-A2 POLYMERS FUNCTIONALIZED WITH POLYCYANO COMPOUNDS Bridgestone Corporation (JP) 2011-11-02 EP disclosed
WO-2010085631-A2 POLYMERS FUNCTIONALIZED WITH POLYCYANO COMPOUNDS BRIDGESTONE CORPORATION (JP) 2010-07-29 WO disclosed