Acrylic Acid Ethyl Ester

Acrylic Acid Ethyl Ester

SCHEMBL2866822

C=C(Cl)C(=O)OCC.C=CC(=O)OCC

nearest known ligand 0.47

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.47
TSHR P16473 8/20 0.46
HPGD P15428 1/20 0.46
ALDH1A1 P00352 9/20 0.41
TP53 P04637 3/20 0.41
HIF1A Q16665 3/20 0.41
CYP3A4 P08684 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HCAR2 Q8TDS4 1/20 0.39
THRB P10828 1/20 0.39
GLO1 Q04760 1/20 0.38
MAPT P10636 2/20 0.35
CYP2D6 P10635 1/20 0.34

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 SCHEMBL11768978 0.89 TSHR (0.67) NPSR1TSHRHPGDALDH1A1TP53
Acrylic Acid Ethyl Ester SCHEMBL9164699 0.88 TSHR (0.52) NPSR1TSHRHPGDALDH1A1TP53
SCHEMBL395607 0.85
Potassium SCHEMBL29839788 0.83
Acrylic Acid Ethyl Ester SCHEMBL8829513 0.83
Acrylic Acid Ethyl Ester SCHEMBL9557413 0.83 TSHR (0.60) NPSR1TSHRHPGDALDH1A1TP53
Acrylic Acid Ethyl Ester SCHEMBL3180 0.83
Acrylic Acid Ethyl Ester SCHEMBL8159679 0.83 TSHR (0.60) NPSR1TSHRHPGDALDH1A1TP53
Acrylic Acid Ethyl Ester SCHEMBL669169 0.82 THRB (0.50) NPSR1TSHRHPGDALDH1A1TP53
Acrylic Acid Ethyl Ester SCHEMBL8160218 0.82 NPSR1 (0.48) NPSR1TSHRHPGDALDH1A1TP53

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
US-7662905-B2 Copolycarbonate, copolycarbonate composition, and optical molded article obtained therefrom IDEMITSU KOSAN CO., LTD. (JP) 2010-02-16 US disclosed
US-20080287610-A1 Copolycarbonate, Copolycarbonate Composition, and Optical molded Article Obtained Therefrom IDEMITSU KOSAN CO., LTD. (JP) 2008-11-20 US disclosed