Acrylic Acid Ethyl Ester

Acrylic Acid Ethyl Ester

SCHEMBL29761908

C=CC(=O)OCC.C[N+](C)(CCCO)S(=O)(=O)O

nearest known ligand 0.40

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.40
HPGD P15428 1/20 0.40
ALDH1A1 P00352 5/20 0.36
CYP3A4 P08684 2/20 0.36
TP53 P04637 3/20 0.33
HIF1A Q16665 3/20 0.33
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
THRB P10828 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
MAPT P10636 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
SCHEMBL867366 0.79 THRB (0.42) TSHRALDH1A1CYP4F2CYP4A11THRB
Acrylic Acid Ethyl Ester SCHEMBL6677182 0.79 TSHR (0.56) TSHRHPGDALDH1A1CYP3A4TP53
Acrylic Acid Ethyl Ester SCHEMBL28604855 0.77 TSHR (0.52) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL1573671 0.77 MEN1 (0.32) CYP3A4
Acrylic Acid Ethyl Ester SCHEMBL28251692 0.75 TSHR (0.50) TSHRHPGDALDH1A1CYP3A4TP53
Acrylic Acid Ethyl Ester SCHEMBL27839093 0.75 TSHR (0.50) TSHRHPGDALDH1A1CYP3A4TP53
Acrylic Acid Ethyl Ester SCHEMBL4139149 0.75 TSHR (0.60) TSHRHPGDALDH1A1CYP3A4TP53
Acrylic Acid Ethyl Ester SCHEMBL28322103 0.75
Acrylic Acid Ethyl Ester SCHEMBL8357913 0.74 TSHR (0.66) TSHRHPGDALDH1A1CYP3A4TP53
Acrylic Acid Ethyl Ester SCHEMBL10482304 0.74 TSHR (0.50) TSHRHPGDALDH1A1CYP3A4TP53

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
CN-115397930-A Coating composition, use and method for anti-frosting a substrate 索尔维公司 2022-11-25 CN claimed
CN-114845799-A Polymeric additives comprising zwitterionic moieties for vinylidene fluoride polymer based films 索尔维公司 2022-08-02 CN claimed
CN-115427746-A Use of a coating composition to render a substrate anti-frosting, compositions and methods therefor 索尔维公司 2022-12-02 CN disclosed
CN-115397930-A Coating composition, use and method for anti-frosting a substrate 索尔维公司 2022-11-25 CN disclosed
CN-114845799-A Polymeric additives comprising zwitterionic moieties for vinylidene fluoride polymer based films 索尔维公司 2022-08-02 CN disclosed
CN-114828993-A Polymer additives comprising zwitterionic moieties for PVDF-based membranes 索尔维公司 2022-07-29 CN disclosed