Acrylonitrile

Acrylonitrile

SCHEMBL7775968

C=C(C)C(=O)OC(C)N=C=O.C=CC#N

nearest known ligand 0.36

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Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL35491 0.88 TSHR (0.39) TSHRALDH1A1
SCHEMBL9472415 0.83 TSHR (0.36) TSHRALDH1A1
Methacrylic Acid SCHEMBL27993923 0.83 TSHR (0.36) TSHRALDH1A1
Maleic Acid SCHEMBL10951131 0.83 HCAR2 (0.38) TSHRALDH1A1
Acrylonitrile SCHEMBL8587637 0.80 TSHR (0.42) TSHRALDH1A1
Ether SCHEMBL4103771 0.79 THRB (0.42) TSHRALDH1A1
Acrylonitrile SCHEMBL10732006 0.78 TSHR (0.41) TSHRALDH1A1
SCHEMBL17968253 0.78 TSHR (0.36) TSHRALDH1A1
SCHEMBL10404515 0.77 TSHR (0.32) TSHRALDH1A1
SCHEMBL1527804 0.76 TSHR (0.35) TSHRALDH1A1

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-1123331-A1 GRAFT COPOLYMER WITH A UREA OR IMID FUNCTIONAL GROUP AS A PIGMENT DISPERSANT E.I. DU PONT DE NEMOURS AND COMPANY (US) 2001-08-16 EP disclosed
WO-2000020476-A1 GRAFT COPOLYMER WITH A UREA OR IMID FUNCTIONAL GROUP AS A PIGMENT DISPERSANT E.I. DU PONT DE NEMOURS AND COMPANY (US) 2000-04-13 WO disclosed
US-5852123-A Graft copolymer with a urea or imid functional group as a pigment dispersant E. I. DU PONT DE NEMOURS AND COMPANY (US) 1998-12-22 US disclosed