Acrylic Acid Ethyl Ester

Acrylic Acid Ethyl Ester

SCHEMBL2271601

C=CC(=O)OC1CC1.C=CC(=O)OCC

nearest known ligand 0.46

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Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.46
HPGD P15428 1/20 0.46
ALDH1A1 P00352 7/20 0.41
TP53 P04637 3/20 0.41
HIF1A Q16665 3/20 0.41
CYP3A4 P08684 2/20 0.41
HSD17B10 Q99714 2/20 0.41
HCAR2 Q8TDS4 1/20 0.39
THRB P10828 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ESR2 Q92731 1/20 0.35
EPHX1 P07099 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.33

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
Ethyl Fumarate SCHEMBL2705043 0.87 HCAR2 (0.62) TSHRHPGDALDH1A1HCAR2MAPT
Acrylic Acid Ethyl Ester SCHEMBL2168299 0.87 HCAR2 (0.58) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL34965 0.85
SCHEMBL321481 0.85 TSHR (0.36) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL14999268 0.84 GAA (0.53) TSHRALDH1A1TP53THRBSMN1; SMN2
Acrylic Acid Ethyl Ester SCHEMBL10892530 0.84 TSHR (0.40) TSHRHPGDALDH1A1TP53HIF1A
Potassium SCHEMBL31173511 0.83
Acrylic Acid Ethyl Ester SCHEMBL3171614 0.83 TSHR (0.56) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Ethyl Ester SCHEMBL3180 0.83
Acrylic Acid Ethyl Ester SCHEMBL9557413 0.83 TSHR (0.60) TSHRHPGDALDH1A1TP53HIF1A

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
US-20110197472-A1 PROCESS FOR PRODUCING CROSSLINKED MOLDED FOAM AND CROSSLINKED MOLDED FOAM SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-18 US disclosed
EP-0016493-B1 COPOLYMER ELASTOMER WITH IMPROVED HEAT AND OIL RESISTANCE BASED ON MODIFIED CHLORINATED POLYETHYLENE UNIROYAL, INC. (US) 1984-07-04 EP disclosed
US-4238578-A GRAFT POLYMER WITH ACRYLIC ESTER; VULCANIZABLE UNIROYAL, INC. (US) 1980-12-09 US disclosed
EP-0016493-A1 Copolymer elastomer with improved heat and oil resistance based on modified chlorinated polyethylene UNIROYAL, INC. (US) 1980-10-01 EP disclosed