Acrylic Acid Methyl Ester

Acrylic Acid Methyl Ester

SCHEMBL28023683

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

nearest known ligand 0.56

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Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.56
ALDH1A1 P00352 4/20 0.56
CYP3A4 P08684 2/20 0.56
HPGD P15428 1/20 0.51
TP53 P04637 3/20 0.43
HIF1A Q16665 3/20 0.43
HSD17B10 Q99714 1/20 0.43
THRB P10828 2/20 0.37
ATM Q13315 1/20 0.34
HCAR2 Q8TDS4 3/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
Acrylic Acid Methyl Ester SCHEMBL28023077 0.95 TSHR (0.53) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL350030 0.92 TSHR (0.67) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL1867314 0.90 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL8158336 0.90 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL809847 0.90 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL809804 0.90 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL4921457 0.90 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
Acrylonitrile SCHEMBL10893158 0.87 TSHR (0.60) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL530479 0.86 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL28008636 0.86 TSHR (0.55) TSHRALDH1A1CYP3A4HPGDTP53

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
CN-103827147-B Manufacture method of acrylic acid polymer and uses thereof TOAGOSEI CO.,LTD. (JP) 2016-04-27 CN disclosed
CN-104830193-A High hydrophilic coating composition and use thereof TOAGOSEI CO LTDP 2015-08-12 CN disclosed
CN-102959004-B Acrylic rubber composition, vulcanizate, hose part, and sealing part DENKI KAGAKU KOGYO KK 2015-06-17 CN disclosed