Acrylic Acid Ethyl Ester

Acrylic Acid Ethyl Ester

SCHEMBL5576400

C=CC(=O)OCC.NCO

nearest known ligand 0.52

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.52
HPGD P15428 1/20 0.52
ALDH1A1 P00352 7/20 0.47
TP53 P04637 3/20 0.47
HIF1A Q16665 3/20 0.47
CYP3A4 P08684 2/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 2/20 0.46
HCAR2 Q8TDS4 1/20 0.45
NPSR1 Q6W5P4 1/20 0.43
THRB P10828 1/20 0.43
ALOX15 P16050 1/20 0.42
CYP1A2 P05177 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 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 SCHEMBL4377433 0.93 TSHR (0.54) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Ethyl Ester SCHEMBL2777786 0.91 TSHR (0.48) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Ethyl Ester SCHEMBL28234481 0.91 TSHR (0.57) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Ethyl Ester SCHEMBL3171614 0.91 TSHR (0.56) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Ethyl Ester SCHEMBL202495 0.91
Acrylic Acid Ethyl Ester SCHEMBL5831496 0.91 TSHR (0.56) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Ethyl Ester SCHEMBL3180 0.91
Acrylic Acid Ethyl Ester SCHEMBL8159679 0.91 TSHR (0.60) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Ethyl Ester SCHEMBL9557413 0.91 TSHR (0.60) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Ethyl Ester SCHEMBL29429811 0.90 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160145456-A1 HYDROPHILIC COATINGS FORMED BY ATMOSPHERIC CO2 REACTION CRESTLINE DIRECT FINANCE, L.P. 2016-05-26 US disclosed
US-20070208089-A1 PSEUDOPLASTIC, AQUEOUS DISPERSIONS, METHOD FOR THEIR PRODUCTION AND USE THEREOF BASF CORPORATION PATENT/LEGAL DEPARTMENT (US) 2007-09-06 US disclosed
US-7169832-B2 Nanoparticles, method for modifying their surfaces, dispersion of nanoparticles, method for the production and the utilization thereof BASF COATINGS AG (DE) 2007-01-30 US disclosed
US-20060041035-A1 Nanoparticles, method for modifying their surfaces, dispersion of nanoparticles, method for the produciton and the utilization thereof BASF COATING (DE) 2006-02-23 US disclosed