Acrylic Acid Ethyl Ester

Acrylic Acid Ethyl Ester

SCHEMBL6677182

C=CC(=O)OCC.OCCCCO

nearest known ligand 0.56

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Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.56
HPGD P15428 1/20 0.55
ALDH1A1 P00352 7/20 0.50
CYP3A4 P08684 2/20 0.50
TP53 P04637 3/20 0.45
HIF1A Q16665 3/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 2/20 0.45
CYP4F2 P78329 3/20 0.44
CYP4A11 Q02928 3/20 0.44
HCAR2 Q8TDS4 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
THRB P10828 1/20 0.42
MAPT P10636 1/20 0.40
LMNA P02545 1/20 0.37
ALOX15 P16050 1/20 0.36

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 SCHEMBL10482304 0.94 TSHR (0.50) TSHRHPGDALDH1A1CYP3A4TP53
Acrylic Acid Ethyl Ester SCHEMBL10482300 0.92 TSHR (0.64) TSHRHPGDALDH1A1CYP3A4TP53
Acrylic Acid Ethyl Ester SCHEMBL4139149 0.91 TSHR (0.60) TSHRHPGDALDH1A1CYP3A4TP53
Acrylic Acid Ethyl Ester SCHEMBL27543210 0.91 TSHR (0.56) TSHRHPGDALDH1A1CYP3A4SMN1; SMN2
Acrylic Acid Ethyl Ester SCHEMBL8357913 0.90 TSHR (0.66) TSHRHPGDALDH1A1CYP3A4TP53
Acrylic Acid Ethyl Ester SCHEMBL3171614 0.89 TSHR (0.56) TSHRHPGDALDH1A1CYP3A4TP53
Acrylic Acid Ethyl Ester SCHEMBL8159679 0.89 TSHR (0.60) TSHRHPGDALDH1A1CYP3A4TP53
Acrylic Acid Ethyl Ester SCHEMBL3180 0.89
Acrylic Acid Ethyl Ester SCHEMBL9557413 0.89 TSHR (0.60) TSHRHPGDALDH1A1CYP3A4TP53
Acrylic Acid Ethyl Ester SCHEMBL11214028 0.86 TSHR (0.54) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102612557-A An enzymatically catalyzed method of preparing mono-acylated polyols BASF SE 2012-07-25 CN disclosed
WO-2004046803-A1 LIQUID CRYSTAL DEVICES WITH REDUCED SURFACE ANCHORING ENERGY QINETIQ LIMITED (GB) 2004-06-03 WO disclosed
EP-1046078-A1 LIQUID CRYSTAL DEVICE ALIGNMENT Hewlett-Packard Company (US) 2000-10-25 EP disclosed
WO-1999018474-A1 LIQUID CRYSTAL DEVICE ALIGNMENT HEWLETT-PACKARD COMPANY (US) 1999-04-15 WO disclosed