Acrylic Acid Ethyl Ester

Acrylic Acid Ethyl Ester

SCHEMBL7531396

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

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.58
HPGD P15428 1/20 0.57
ALDH1A1 P00352 5/20 0.53
CYP3A4 P08684 1/20 0.53
HCAR2 Q8TDS4 2/20 0.44
EPHX1 P07099 1/20 0.41
ATM Q13315 1/20 0.40
NAAA Q02083 1/20 0.39
TP53 P04637 2/20 0.38
HIF1A Q16665 2/20 0.38
HSD17B10 Q99714 1/20 0.38
THRB P10828 1/20 0.37
FAAH O00519 1/20 0.37
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 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 SCHEMBL11584568 0.96 TSHR (0.65) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL11511400 0.96 TSHR (0.63) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL8958812 0.96 TSHR (0.63) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL7974959 0.96 TSHR (0.63) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL8349812 0.96 TSHR (0.63) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL668356 0.94 TSHR (0.65) TSHRHPGDALDH1A1CYP3A4HCAR2
Acrylic Acid Ethyl Ester SCHEMBL3704437 0.94 TSHR (0.65) TSHRHPGDALDH1A1CYP3A4HCAR2
Acrylic Acid Ethyl Ester SCHEMBL8149971 0.94 TSHR (0.51) TSHRHPGDALDH1A1CYP3A4EPHX1
Acrylic Acid SCHEMBL11359330 0.92 TSHR (0.58) TSHRHPGDALDH1A1CYP3A4HCAR2
Methacrylic Acid SCHEMBL15733333 0.92 TSHR (0.58) TSHRHPGDALDH1A1CYP3A4HCAR2

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
EP-0866810-B1 BULK RADICAL POLYMERIZATION USING A BATCH REACTOR MINNESOTA MINING & MFG (US) 2002-03-13 EP disclosed
US-5986011-A FREE RADICAL POLYMERIZATION OF VINYL MONOMERS AND CHAIN TRANSFER AGENTS, DEOXYGENATION, HEAT TREATMENT, POLYMERIZATION AND CATALYTIC POLYMERIZATION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-11-16 US disclosed
US-5753768-A DEOXYGENATING MIXTURE OF MONOMERS AND FREE RADICAL INITIATORS IN BATCH REACTOR, HEATING, POLYMERIZING UNDER ADIABATIC CONDITIONS, REPEATING MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-05-19 US disclosed
US-5637646-A MIXTURE CONSISTS OF FREE RADICALLY COPOLYMERIZABLE VINYL MONOMERS, FREE RADICAL INITIATORS, OPTIONAL CROSSLINKER, CHAIN TRANSFER AGENT AND OTHER COMONOMERS; DEOXYGENATING, HEATING, POLYMERIZING UNDER ADIABETIC CONDITION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-06-10 US disclosed