Acrylonitrile

Acrylonitrile

SCHEMBL6438020

C=CC#N.C=CC=C.O=C1C=CC(=O)N1c1ccccc1

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 14/20 0.64
FAAH O00519 7/20 0.52
HSP90AA1 P07900 4/20 0.47
PKM P14618 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
ATM Q13315 1/20 0.47
DDAH1 O94760 1/20 0.42
BCHE P06276 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TLR9 Q9NR96 1/20 0.41

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 SCHEMBL666307 0.96 MGLL (0.69) MGLLFAAHHSP90AA1PKMALDH1A1
Styrene SCHEMBL20338077 0.92 MGLL (0.55) MGLLFAAHHSP90AA1PKMALDH1A1
Butadiene SCHEMBL17534936 0.91 MGLL (0.78) MGLLFAAHHSP90AA1PKMALDH1A1
Styrene SCHEMBL1070534 0.88 MGLL (0.58) MGLLFAAHHSP90AA1PKMALDH1A1
Maleic Anhydride SCHEMBL9076211 0.87 MGLL (0.56) MGLLFAAHHSP90AA1PKMALDH1A1
Propene SCHEMBL28221039 0.81 MGLL (0.75) MGLLFAAHHSP90AA1PKMALDH1A1
Vinyl Chloride SCHEMBL28214900 0.81 MGLL (0.75) MGLLFAAHHSP90AA1PKMALDH1A1
SCHEMBL28322115 0.81 MGLL (0.82) MGLLFAAHHSP90AA1PKMALDH1A1
Ethylene SCHEMBL28146859 0.80 MGLL (0.90) MGLLFAAHHSP90AA1PKMALDH1A1
Formaldehyde SCHEMBL27804450 0.80 MGLL (0.90) MGLLFAAHHSP90AA1PKMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1160290-B1 FLAME RETARDANT FOR THERMOPLASTIC RESIN AND FLAME-RETARDANT RESIN COMPOSITION KANEKA CORP (JP) 2005-05-04 EP claimed
CN-101538347-B Maleimide copolymer and synthetic method thereof SHANGHAI HUAYI GROUP CO 2013-11-13 CN disclosed
CN-103059221-A Method for preparing high-performance maleimide copolymer by using suspension method SHANGHAI HUAYI GROUP CO 2013-04-24 CN disclosed
CN-101538347-A Maleimide copolymer and synthetic method thereof SHANGHAI HUAYI GROUP CO 2009-09-23 CN disclosed
CN-1257192-C Process for recovering polymer DAISHINANO RESIN CO LTD (JP) 2006-05-24 CN disclosed
CN-1453297-A Process for recovering polymer DAISHINANO RESIN CO LTD (JP) 2003-11-05 CN disclosed