Acrylic Acid Ethyl Ester

Acrylic Acid Ethyl Ester

SCHEMBL7100314

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

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.61
HPGD P15428 1/20 0.61
ALDH1A1 P00352 5/20 0.45
CYP3A4 P08684 1/20 0.45
ATM Q13315 1/20 0.44
THRB P10828 3/20 0.41
HCAR2 Q8TDS4 3/20 0.40
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TP53 P04637 2/20 0.38
HIF1A Q16665 2/20 0.38
HSD17B10 Q99714 1/20 0.38
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL1952425 0.96 TSHR (0.67) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL10457292 0.93 TSHR (0.63) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL3854884 0.92 TSHR (0.61) TSHRHPGDALDH1A1CYP3A4ATM
Acrylic Acid Ethyl Ester SCHEMBL27797310 0.91 TSHR (0.69) TSHRHPGDALDH1A1CYP3A4ATM
Acrylic Acid Ethyl Ester SCHEMBL11600896 0.91 TSHR (0.69) TSHRHPGDALDH1A1CYP3A4ATM
1,4-Butanediol SCHEMBL9333775 0.90 TSHR (0.59) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL7959080 0.90 TSHR (0.59) TSHRHPGDALDH1A1CYP3A4ATM
Acrylic Acid Ethyl Ester SCHEMBL5936316 0.90 TSHR (0.66) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL1514927 0.90 TSHR (0.71) TSHRHPGDALDH1A1CYP3A4ATM
Styrene SCHEMBL11878203 0.88 TSHR (0.47) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0893456-B1 Process for producing modified acrylic rubber NIPPON MEKTRON KK (JP) 2003-08-27 EP disclosed
US-6380318-B1 PEROXIDE CURABLE; SOLVENT-FREE NIPPON MEKTRON, LIMITED (JP) 2002-04-30 US disclosed
EP-0893456-A1 Process for producing modified acrylic rubber Nippon Mektron, Limited (JP) 1999-01-27 EP disclosed