Acrylic Acid Methyl Ester

Acrylic Acid Methyl Ester

SCHEMBL8443159

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

nearest known ligand 0.30

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Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30
ALDH1A1 P00352 1/20 0.30
ALOX15 P16050 1/20 0.30
RECQL P46063 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL5466031 0.82 ALDH1A1 (0.48) ALDH1A1
Acrylic Acid Methyl Ester SCHEMBL3229916 0.82 PTGS1 (0.37) ALDH1A1ALOX15RECQLHSD17B10
SCHEMBL11338750 0.80
SCHEMBL80067 0.80
Acrylic Acid Methyl Ester SCHEMBL9419938 0.77 KEAP1 (0.33) KEAP1NFE2L2HCAR2
Acrylic Acid Methyl Ester SCHEMBL28604394 0.77 MCL1 (0.48) ALDH1A1
Acrylic Acid Methyl Ester SCHEMBL6408257 0.76 TDP1 (0.48) KEAP1NFE2L2HCAR2ALDH1A1HSD17B10
Acrylic Acid Methyl Ester SCHEMBL11516777 0.76 TSHR (0.43) KEAP1NFE2L2HCAR2ALDH1A1HSD17B10
Acrylic Acid Methyl Ester SCHEMBL11375074 0.76 TSHR (0.43) KEAP1NFE2L2HCAR2ALDH1A1HSD17B10
Acrylic Acid Methyl Ester SCHEMBL11366899 0.76 TSHR (0.43) KEAP1NFE2L2HCAR2ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0741150-B1 A process for making a polymer of acrylonitrile, methacrylonitrile and olefinically unsaturated monomers STANDARD OIL CO OHIO (US) 1999-02-17 EP disclosed
US-5602222-A HEATING MIXTURE OF ACRYLONITRILE, METHACRYLONITRILE, UNSATURATED MONOMER UNDER INERT ATMOSPHERE, ADDING INITIATOR, ADDING FEED MIXTURE AT FIXED CONSTANT MOLAR RATIO AND CONSTANT RATE THE STANDARD OIL COMPANY (US) 1997-02-11 US disclosed
EP-0741150-A1 A process for making a polymer of acrylonitrile, methacrylonitrile and olefinically unsaturated monomers THE STANDARD OIL COMPANY (US) 1996-11-06 EP disclosed