Acrylonitrile

Acrylonitrile

SCHEMBL8915523

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

nearest known ligand 0.36

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Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL560356 0.87 ALDH1A1 (0.43) ALDH1A1TSHR
SCHEMBL11801788 0.87 ALDH1A1 (0.43) ALDH1A1TSHR
Acrylic Acid SCHEMBL25313465 0.84 LMNA (0.40) ALDH1A1TSHR
Methacrylic Acid SCHEMBL30110651 0.81 ALDH1A1 (0.38) ALDH1A1TSHR
Acrylonitrile SCHEMBL28978 0.79 ALDH1A1 (0.43) ALDH1A1TSHR
Acrylonitrile SCHEMBL1885744 0.79 ALDH1A1 (0.43) ALDH1A1TSHR
Methacrylic Acid SCHEMBL31398826 0.78 LMNA (0.42) ALDH1A1TSHR
Methacrylic Acid SCHEMBL31329502 0.78 ALDH1A1 (0.35) ALDH1A1TSHR
Acrylic Acid SCHEMBL10979925 0.78 LMNA (0.42) ALDH1A1TSHR
Acrylonitrile SCHEMBL8743874 0.75 ALDH1A1 (0.39) ALDH1A1TSHR

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-5683815-A ELASTOMER MODIFIED ACRYLONITRILE-STYRENE-ACRYLIC ESTER TERPOLYMER AND PLASTICIZER BENECKE-KALIKO AG (DE) 1997-11-04 US disclosed