Acrylonitrile

Acrylonitrile

SCHEMBL11784384

C=CC#N.N#CC=CC#N

nearest known ligand 0.75

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Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.75
TSHR P16473 1/20 0.75

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
Acrylonitrile SCHEMBL11784382 1.00 ALDH1A1 (0.75) ALDH1A1TSHR
Acrylonitrile SCHEMBL625853 0.87
Acrylonitrile SCHEMBL1331669 0.87
Acrylonitrile SCHEMBL6469074 0.87
Acrylonitrile SCHEMBL1331891 0.87
Acrylonitrile SCHEMBL28610206 0.87
Acrylonitrile SCHEMBL1331795 0.87
Acrylonitrile SCHEMBL1330109 0.87
Acrylonitrile SCHEMBL22582794 0.87
Acrylonitrile SCHEMBL14899 0.87

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
US-3950296-A YARN SIZING, COATINGS THE DOW CHEMICAL COMPANY (US) 1976-04-13 US disclosed