Acrylic Acid Ethyl Ester

Acrylic Acid Ethyl Ester

SCHEMBL864342

C=CC(=O)OCC.CN(C)CCCCS(=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 6/20 0.36
CYP3A4 P08684 2/20 0.36
THRB P10828 3/20 0.33
TP53 P04637 3/20 0.33
HIF1A Q16665 3/20 0.33
HSD17B10 Q99714 1/20 0.33
EPHX2 P34913 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
THRA P10827 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL27994085 0.84 TSHR (0.50) TSHRHPGDALDH1A1CYP3A4THRB
Acrylic Acid Ethyl Ester SCHEMBL9480145 0.81 TSHR (0.53) TSHRHPGDALDH1A1CYP3A4THRB
Acrylic Acid Ethyl Ester SCHEMBL9480206 0.81 TSHR (0.53) TSHRHPGDALDH1A1CYP3A4THRB
Acrylic Acid Ethyl Ester SCHEMBL9480621 0.81 TSHR (0.53) TSHRHPGDALDH1A1CYP3A4THRB
Acrylic Acid Ethyl Ester SCHEMBL9481033 0.81 TSHR (0.53) TSHRHPGDALDH1A1CYP3A4THRB
Acrylic Acid Ethyl Ester SCHEMBL9480566 0.81 TSHR (0.53) TSHRHPGDALDH1A1CYP3A4THRB
Acrylic Acid Ethyl Ester SCHEMBL9482861 0.81 TSHR (0.53) TSHRHPGDALDH1A1CYP3A4THRB
Acrylic Acid Ethyl Ester SCHEMBL9481807 0.81 TSHR (0.53) TSHRHPGDALDH1A1CYP3A4THRB
Acrylic Acid Ethyl Ester SCHEMBL9485647 0.81 TSHR (0.53) TSHRHPGDALDH1A1CYP3A4THRB
Dymanthine SCHEMBL9482231 0.81 TSHR (0.53) TSHRHPGDALDH1A1CYP3A4THRB

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
US-20120077928-A1 Polymerization using a diallylamine and a compound comprising a macromolecular chain comprising units derived from this amine RHODIA OPERATIONS (FR) 2012-03-29 US disclosed
US-20110130321-A1 HEAT-SENSITIVE EMULSIONS RHODIA OPERATIONS (FR) 2011-06-02 US disclosed
US-20100093929-A1 Polymerization Of Macromolecular Monomers Comprising Diallyamine Structual Units RHODIA OPERATIONS (FR) 2010-04-15 US disclosed