Acrylic Acid Ethyl Ester

Acrylic Acid Ethyl Ester

SCHEMBL8102856

C=C(CC=C(C)C(=O)O)C(=O)OC.C=CC(=O)OCC.C=CC(=O)OCCCC

nearest known ligand 0.51

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.51
HPGD P15428 1/20 0.51
ALDH1A1 P00352 5/20 0.38
CYP3A4 P08684 1/20 0.38
ATM Q13315 1/20 0.37
HCAR2 Q8TDS4 3/20 0.37
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TP53 P04637 2/20 0.32
HIF1A Q16665 2/20 0.32
HSD17B10 Q99714 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL2878453 0.96 TSHR (0.55) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL5361438 0.96 TSHR (0.55) TSHRHPGDALDH1A1CYP3A4ATM
Acrylic Acid Ethyl Ester SCHEMBL10599999 0.92 TSHR (0.45) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL5072656 0.92 TSHR (0.50) TSHRHPGDALDH1A1CYP3A4ATM
Acrylic Acid Ethyl Ester SCHEMBL16333556 0.92 TSHR (0.51) TSHRHPGDALDH1A1CYP3A4ATM
Acrylic Acid Ethyl Ester SCHEMBL1486048 0.92 TSHR (0.35) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL9722616 0.90 TSHR (0.50) TSHRHPGDALDH1A1CYP3A4ATM
Acrylic Acid Ethyl Ester SCHEMBL9698333 0.89 TSHR (0.33) TSHRHPGDALDH1A1HCAR2NPSR1
Acrylic Acid Ethyl Ester SCHEMBL6017688 0.89 ALOX15 (0.35) TSHRHPGDALDH1A1HCAR2NPSR1
SCHEMBL7598695 0.88 TSHR (0.46) TSHRHPGDALDH1A1CYP3A4ATM

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
EP-1062546-A1 PROCESS FOR THE CONTINUOUS LIQUID PROCESSING OF PHOTOSENSITIVE COMPOSITIONS HAVING REDUCED LEVELS OF RESIDUES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2000-12-27 EP disclosed
WO-1999046644-A1 PROCESS FOR THE CONTINUOUS LIQUID PROCESSING OF PHOTOSENSITIVE COMPOSITIONS HAVING REDUCED LEVELS OF RESIDUES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-09-16 WO disclosed