Acrylonitrile

Acrylonitrile

SCHEMBL21639734

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

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45

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 SCHEMBL7197920 0.81
Sulfuric Acid SCHEMBL27261741 0.81 ALDH1A1 (0.60) ALDH1A1TSHR
Sulfuric Acid SCHEMBL5669550 0.81
Sulfuric Acid SCHEMBL28262547 0.78 ALDH1A1 (0.56) ALDH1A1TSHR
Sulfuric Acid SCHEMBL9458827 0.78 ALDH1A1 (0.56) ALDH1A1TSHR
Sulfuric Acid SCHEMBL8054854 0.78 ALDH1A1 (0.56) ALDH1A1TSHR
Sulfuric Acid SCHEMBL9458817 0.78 ALDH1A1 (0.56) ALDH1A1TSHR
Trifluoromethanesulfonic Acid SCHEMBL5961949 0.78 ALDH1A1 (0.43) ALDH1A1TSHR
Vinylsulfonic Acid SCHEMBL26071540 0.76 ALDH1A1 (0.53) ALDH1A1TSHR
SCHEMBL28624 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4394005-A1 BINDER FOR AQUEOUS INKJET INKS, AQUEOUS INKJET INK, AND PRINTED LAYER DIC Corporation (JP) 2024-07-03 EP disclosed
EP-4394004-A1 BINDER FOR AQUEOUS INKJET INKS, AQUEOUS INKJET INK, AND PRINTED LAYER DIC Corporation (JP) 2024-07-03 EP disclosed
CN-117999323-A Binder for aqueous inkjet ink, and printed layer DIC株式会社 2024-05-07 CN disclosed
CN-117980421-A Binder for aqueous inkjet ink, and printed layer DIC株式会社 2024-05-03 CN disclosed
EP-4209549-A1 AQUEOUS RESIN COMPOSITION, COATING AGENT, AND ADHESIVE DIC Corporation (JP) 2023-07-12 EP disclosed
EP-4209550-A1 AQUEOUS RESIN COMPOSITION AND ADHESIVE DIC Corporation (JP) 2023-07-12 EP disclosed
EP-3812427-A1 AQUEOUS RESIN COMPOSITION AND METHOD FOR PRODUCING SAME DIC Corporation (JP) 2021-04-28 EP disclosed
EP-3604454-A1 COATED PIGMENT, AQUEOUS PIGMENT DISPERSION, USE THEREOF, AND PRODUCTION METHOD THEREFOR Toyo Ink SC Holdings Co., Ltd. (JP) 2020-02-05 EP disclosed
CN-110461952-A Coating color and aqueous pigment dispersions, and application thereof and manufacturing method TOYO INK SC HOLDINGS CO LTD 2019-11-15 CN disclosed