Acrylonitrile

Acrylonitrile

SCHEMBL8948878

C=CC#N.C=CC=C.N#CC=CC=Cc1ccccc1

nearest known ligand 0.50

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.50
ALDH1A1 P00352 3/20 0.39
LMNA P02545 3/20 0.39
MAPK1 P28482 2/20 0.39
TRPA1 O75762 1/20 0.39
ALOX5 P09917 1/20 0.39
MCL1 Q07820 2/20 0.38
CYP3A4 P08684 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
TSHR P16473 1/20 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
Butadiene SCHEMBL27850381 0.96 MAOB (0.54) MAOBALDH1A1LMNAMAPK1TRPA1
Acrylonitrile SCHEMBL123982 0.96 MAOB (0.54) MAOBALDH1A1LMNAMAPK1TRPA1
Butadiene SCHEMBL116599 0.96 MAOB (0.54) MAOBALDH1A1LMNAMAPK1TRPA1
Styrene SCHEMBL27619718 0.95 ALDH1A1 (0.45) MAOBALDH1A1LMNAMAPK1TRPA1
Styrene SCHEMBL27856375 0.95 ALDH1A1 (0.45) MAOBALDH1A1LMNAMAPK1TRPA1
Acrylonitrile SCHEMBL17668128 0.93 MAOB (0.58) MAOBALDH1A1LMNAMAPK1TRPA1
Styrene SCHEMBL27956392 0.91 ALDH1A1 (0.48) MAOBALDH1A1LMNAMAPK1TRPA1
Styrene SCHEMBL461688 0.91 ALDH1A1 (0.48) MAOBALDH1A1LMNAMAPK1TRPA1
Styrene SCHEMBL2880602 0.91 ALDH1A1 (0.48) MAOBALDH1A1LMNAMAPK1TRPA1
SCHEMBL27794334 0.91 MAOB (0.52) MAOBALDH1A1LMNAMAPK1TRPA1

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
US-5581627-A Convertible cover headphones BOWSER BRADFORD E (US) 1996-12-03 US claimed
CN-113386105-A Self-moving robot, synchronous belt and preparation method of synchronous belt 科沃斯机器人股份有限公司 2021-09-14 CN disclosed
CN-111065656-A Curable composition, film, infrared transmission filter, solid-state imaging element, and optical sensor 富士胶片株式会社 2020-04-24 CN disclosed
CN-202370196-U Safety handrail YONGSHENG QI 2012-08-08 CN disclosed
US-4459329-A ANIONIC SURFACTANT, CARBON PIGMENT GENERAL ELECTRIC COMPANY (US) 1984-07-10 US disclosed
US-4380596-A ALIPHATIC URETHANE, ANIONIC SURFACTANT, CARBON PIGMENT GENERAL ELECTRIC COMPANY (US) 1983-04-19 US disclosed