Acrylonitrile

Acrylonitrile

SCHEMBL9506635

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

nearest known ligand 0.50

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Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ZDHHC20 Q5W0Z9 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
TGM2 P21980 3/20 0.35

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 SCHEMBL11565207 0.96 TSHR (0.46) TSHRALDH1A1MAPK1TDP1ZDHHC20
Acrylic Acid SCHEMBL11418090 0.94 ALDH1A1 (0.45) TSHRALDH1A1MAPK1TDP1ZDHHC20
Water SCHEMBL9482345 0.89
SCHEMBL1488043 0.86 TSHR (0.65) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL25806 0.86
Ethylene SCHEMBL10406317 0.84
Methane SCHEMBL27684800 0.84
SCHEMBL28956758 0.84
Ammonia Solution, Strong SCHEMBL27963019 0.84
Formaldehyde SCHEMBL8466228 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111926565-B Color-developing fiber PAN-HAM-PAR and synthetic method and application thereof 浙江工商大学 2022-12-02 CN claimed
CN-111926565-A Color-developing fiber PAN-HAM-PAR and synthetic method and application thereof 浙江工商大学 2020-11-13 CN claimed
CN-111926565-B Color-developing fiber PAN-HAM-PAR and synthetic method and application thereof 浙江工商大学 2022-12-02 CN disclosed
CN-111926565-B Color-developing fiber PAN-HAM-PAR and synthetic method and application thereof 浙江工商大学 2022-12-02 CN disclosed
CN-111926406-B Color-developing fiber PAN-MB-PAR and synthetic method and application thereof 浙江工商大学 2022-08-26 CN disclosed
CN-111926565-A Color-developing fiber PAN-HAM-PAR and synthetic method and application thereof 浙江工商大学 2020-11-13 CN disclosed
CN-111926406-A Color-developing fiber PAN-MB-PAR and synthetic method and application thereof 浙江工商大学 2020-11-13 CN disclosed
CN-111926565-A Color-developing fiber PAN-HAM-PAR and synthetic method and application thereof 浙江工商大学 2020-11-13 CN disclosed
EP-0322287-B1 WET-LAID SHEET FOR USE AS A COATING SUPPORT ARJO WIGGINS S.A. (FR) 1993-07-14 EP disclosed
EP-0322287-A1 Wet-laid sheet for use as a coating support ARJO WIGGINS S.A. (FR) 1989-06-28 EP disclosed
US-4680335-A LATEX, POLYMERS/SHELL-CORE/ COURTAULDS PLC (GB) 1987-07-14 US disclosed