Acrylonitrile

Acrylonitrile

SCHEMBL9562022

C=CC#N.C=CC(=O)OCC1CO1

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
TP53 P04637 4/20 0.41
CYP3A4 P08684 3/20 0.41
MGLL Q99685 3/20 0.40
TSHR P16473 6/20 0.36
HIF1A Q16665 3/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 1/20 0.33

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
Acrylic Acid SCHEMBL27665480 0.95 ALDH1A1 (0.41) ALDH1A1TP53CYP3A4MGLLTSHR
Acrylonitrile SCHEMBL460151 0.93 ALDH1A1 (0.44) ALDH1A1TP53CYP3A4MGLLTSHR
Water SCHEMBL10496050 0.91 ALDH1A1 (0.52) ALDH1A1TP53CYP3A4MGLLTSHR
SCHEMBL17692 0.89
SCHEMBL15082542 0.89
SCHEMBL29850839 0.89 ALDH1A1 (0.53) ALDH1A1TP53CYP3A4MGLLTSHR
Acrylonitrile SCHEMBL28796018 0.88 TSHR (0.56) ALDH1A1TP53CYP3A4MGLLTSHR
Formaldehyde SCHEMBL25206470 0.88 ALDH1A1 (0.52) ALDH1A1TP53CYP3A4MGLLTSHR
Ethylene SCHEMBL21354082 0.88 ALDH1A1 (0.52) ALDH1A1TP53CYP3A4MGLLTSHR
SCHEMBL16307334 0.88 ALDH1A1 (0.52) ALDH1A1TP53CYP3A4MGLLTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120005240-A Multilayer film, polyimide film and cover film package 杜邦电子公司 2025-05-16 CN disclosed
CN-107406654-B Resin composition and molded article using same 三菱瓦斯化学株式会社 2019-03-08 CN disclosed
CN-107406654-A Resin composition and molded article using same 三菱瓦斯化学株式会社 2017-11-28 CN disclosed
US-5258234-A SUBSTRATE COATED WITH AN INK LAYER CONTAINING A COLORING AGENT, A COPOLYMER OF ACRYLONITRILE OR METHACRYLONITRILE AND AN ACRYLIC ESTER, AND A LUBRICANT RICOH COMPANY LTD. (JP) 1993-11-02 US disclosed
US-5250361-A Containing copolymer of (meth)acrylonitrile and acrylated ester RICOH COMPANY LTD. (JP) 1993-10-05 US disclosed