Acrylonitrile

Acrylonitrile

SCHEMBL8734346

C=C(C)c1ccccc1.C=CC#N.C=CC=CC(C=Cc1ccccc1)C(=C)C(=O)OC

nearest known ligand 0.38

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
CYP3A4 P08684 3/20 0.35
CYP2C9 P11712 2/20 0.33
CYP1A2 P05177 1/20 0.33
HPGD P15428 1/20 0.33
MAOB P27338 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 2/20 0.31
POLB P06746 2/20 0.31
KDM4E B2RXH2 1/20 0.31
APP P05067 1/20 0.31
MAPT P10636 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
PAX8 Q06710 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TSHR P16473 1/20 0.31
TNFRSF1A P19438 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30

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 SCHEMBL9249811 0.94 LMNA (0.37) LMNACYP3A4CYP2C9CYP1A2HPGD
Styrene SCHEMBL1069591 0.91 LMNA (0.35) LMNACYP3A4CYP2C9CYP1A2HPGD
SCHEMBL10932584 0.87 LMNA (0.38) LMNACYP3A4CYP2C9CYP1A2HPGD
SCHEMBL34195 0.87 CYP3A4 (0.41) LMNACYP3A4CYP2C9CYP1A2HPGD
Vinyl Chloride SCHEMBL9625391 0.84 LMNA (0.39) LMNACYP3A4CYP2C9CYP1A2HPGD
Butadiene SCHEMBL11122770 0.82 TDP1 (0.36) LMNACYP3A4CYP1A2MAOBTDP1
Styrene SCHEMBL7727957 0.81 ALDH1A1 (0.33) LMNACYP3A4ALDH1A1APPTSHR
SCHEMBL544657 0.80 TDP1 (0.38) LMNACYP3A4CYP1A2TDP1ALDH1A1
Acrylonitrile SCHEMBL29268884 0.78 ALDH1A1 (0.34) LMNACYP2C9MAOBTDP1ALDH1A1
Serine SCHEMBL6128091 0.77 GRIK1 (0.38) LMNACYP3A4CYP1A2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0866081-A1 GRAFTED POLYOLEFIN RESIN AND THERMOPLASTIC RESIN COMPOSITION CONTAINING THE SAME KANEKA CORPORATION (JP) 1998-09-23 EP disclosed
EP-0582223-B1 Thermoplastic resin composition KANEGAFUCHI CHEMICAL IND (JP) 1996-10-09 EP disclosed
EP-0727460-A2 Thermoplastic resin composition KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1996-08-21 EP disclosed
EP-0727459-A1 Thermoplastic resin composition KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1996-08-21 EP disclosed
US-5539055-A STYRENE RESIN AND VINYL CHLORIDE RESIN WITH ANTISTATIC AGENT AND STABILIZER KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1996-07-23 US disclosed
EP-0452971-B1 Modified nonflammable resin composition KANEGAFUCHI CHEMICAL IND (JP) 1996-03-27 EP disclosed
EP-0607972-A1 Antistatic nonflammable resin composition KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1994-07-27 EP disclosed
US-5302665-A Styrene or vinyl chloride resin with glycidyl(oxy)/amido-modified polyolefin KANEGAFUCHI KAGAKU KABUSHIKI KAISHA (JP) 1994-04-12 US disclosed
EP-0582223-A1 Thermoplastic resin composition KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1994-02-09 EP disclosed
EP-0547288-A2 Thermoplastic resin composition KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1993-06-23 EP disclosed
EP-0386789-B1 FLAME-RETARDANT INJECTION-MOLDING RESIN COMPOSITION KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1993-06-09 EP disclosed
US-5208288-A Heat resistance KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1993-05-04 US disclosed
US-5116909-A Styrene Resin, Vinyl Chloride Resin, Vinyl Cyanide-Acrylate-Vinylaromatic Terpolymer KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1992-05-26 US disclosed
EP-0452971-A1 Modified nonflammable resin composition KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1991-10-23 EP disclosed