Acrylonitrile

Acrylonitrile

SCHEMBL28524366

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

nearest known ligand 0.32

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Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL27860258 0.89 ALDH1A1 (0.38) ALDH1A1TSHR
Methacrylic Acid SCHEMBL8426540 0.83 ALDH1A1 (0.33) ALDH1A1TSHR
Methacrylic Acid SCHEMBL8426542 0.83 ALDH1A1 (0.33) ALDH1A1TSHR
Glycerin SCHEMBL10908831 0.76 TSHR (0.34) ALDH1A1TSHR
Acrylonitrile SCHEMBL1885744 0.74 ALDH1A1 (0.43) ALDH1A1TSHR
Acrylonitrile SCHEMBL28978 0.74 ALDH1A1 (0.43) ALDH1A1TSHR
Acrylic Acid SCHEMBL10979925 0.73 LMNA (0.42) ALDH1A1TSHR
SCHEMBL2051332 0.72 ALDH1A1 (0.38) ALDH1A1TSHR
Methacrylic Acid SCHEMBL4396675 0.72 TSHR (0.32) TSHR
SCHEMBL1233084 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110062898-B Hard coat laminated film 理研科技株式会社 2021-06-11 CN disclosed
CN-109922959-B Hard coat laminated film 理研科技株式会社 2021-01-12 CN disclosed