Acrylic Acid Ethyl Ester

Acrylic Acid Ethyl Ester

SCHEMBL28569415

C=CC(=O)OCC.O=C1C=CC(=O)N1

nearest known ligand 0.47

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.47
HPGD P15428 3/20 0.47
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 3/20 0.42
TP53 P04637 2/20 0.42
HIF1A Q16665 2/20 0.42
CYP3A4 P08684 1/20 0.42
THRB P10828 3/20 0.40
GSK3A P49840 2/20 0.39
GSK3B P49841 2/20 0.39
CCR6 P51684 1/20 0.39
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 1/20 0.38
CASP1 P29466 1/20 0.38
HCAR2 Q8TDS4 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37

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 Ethyl Ester SCHEMBL10930565 0.82
Acrylic Acid Ethyl Ester SCHEMBL8159679 0.80 TSHR (0.60) TSHRHPGDALDH1A1HSD17B10TP53
Acrylic Acid Ethyl Ester SCHEMBL3180 0.80
Acrylic Acid Ethyl Ester SCHEMBL9557413 0.80 TSHR (0.60) TSHRHPGDALDH1A1HSD17B10TP53
Acrylic Acid Methyl Ester SCHEMBL4463613 0.79 GSK3A (0.44) TSHRHPGDALDH1A1HSD17B10TP53
Acrylic Acid Ethyl Ester SCHEMBL27818425 0.79 TSHR (0.47) TSHRHPGDALDH1A1HSD17B10TP53
Acrylic Acid Ethyl Ester SCHEMBL4449784 0.79 TSHR (0.43) TSHRHPGDALDH1A1HSD17B10TP53
Acrylic Acid Ethyl Ester SCHEMBL3999850 0.79 TSHR (0.43) TSHRHPGDALDH1A1HSD17B10TP53
Acrylic Acid Ethyl Ester SCHEMBL27630706 0.78 TSHR (0.54) TSHRHPGDALDH1A1HSD17B10TP53
Acrylic Acid Ethyl Ester SCHEMBL23607549 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112898171-B Polymerizable free radical hydrogen extraction type photoinitiator and preparation method and application thereof 江苏百赛飞生物科技有限公司 2023-07-25 CN disclosed
CN-112898171-A Polymerizable free radical hydrogen extraction type photoinitiator and preparation method and application thereof 江苏百赛飞生物科技有限公司 2021-06-04 CN disclosed