Acrylonitrile

Acrylonitrile

SCHEMBL28051655

C=CC#N.O=C(O)/C=C(/C=Cc1ccccc1)C(=O)O

nearest known ligand 0.49

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.49
HDAC4 P56524 2/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
TNKS O95271 1/20 0.49
HCAR2 Q8TDS4 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
TNKS2 Q9H2K2 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
MAPT P10636 5/20 0.44
ALDH1A1 P00352 5/20 0.44
LMNA P02545 4/20 0.44
PLIN1 O60240 2/20 0.44
RECQL P46063 2/20 0.44
PLIN5 Q00G26 2/20 0.44

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
Acrylic Acid SCHEMBL9718438 0.87 HDAC3 (0.55) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL500728 0.87 HDAC3 (0.63) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL29833146 0.87 HDAC3 (0.63) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL29355034 0.87 HDAC3 (0.63) HDAC3HDAC4HDAC1HDAC2HDAC8
Ammonia Solution, Strong SCHEMBL5466710 0.85 HDAC3 (0.61) HDAC3HDAC4HDAC1HDAC2HDAC8
Ammonia Solution, Strong SCHEMBL30095494 0.85 HDAC3 (0.61) HDAC3HDAC4HDAC1HDAC2HDAC8
Fumaric Acid SCHEMBL6873743 0.84 HDAC3 (0.64) HDAC3HDAC4HDAC1HDAC2HDAC8
Vinylsulfonic Acid SCHEMBL9700743 0.83 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC2HDAC8
Styrene SCHEMBL29714786 0.83 HDAC3 (0.55) HDAC3HDAC4HDAC1HDAC2HDAC8
Acetic Acid SCHEMBL30239972 0.82 GLA (0.58) HDAC3HDAC4HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105440562-B Dumb light ABS resin composition and preparation method thereof 上海锦湖日丽塑料有限公司 2019-01-25 CN claimed
CN-105385094-B low gloss ABS resin composition and preparation method thereof 上海锦湖日丽塑料有限公司 2018-11-13 CN claimed
CN-105440562-A Matte ABS resin composition and preparation method thereof SHANGHAI KUMHO SUNNY PLASTICS 2016-03-30 CN claimed
CN-105385094-A Low-gloss ABS resin composition and preparation method thereof SHANGHAI KUMHO SUNNY PLASTICS 2016-03-09 CN claimed
CN-105440562-B Dumb light ABS resin composition and preparation method thereof 上海锦湖日丽塑料有限公司 2019-01-25 CN disclosed
CN-105440562-A Matte ABS resin composition and preparation method thereof SHANGHAI KUMHO SUNNY PLASTICS 2016-03-30 CN disclosed
CN-105385094-A Low-gloss ABS resin composition and preparation method thereof SHANGHAI KUMHO SUNNY PLASTICS 2016-03-09 CN disclosed