Acrylic Acid Ethyl Ester

Acrylic Acid Ethyl Ester

SCHEMBL28358086

C=CC(=O)OCC.CCC1CCC(=O)N1

nearest known ligand 0.36

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Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 6/20 0.36
▸ HPGD P15428 3/20 0.36
▸ HSD17B10 Q99714 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ IRAK4 Q9NWZ3 4/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ TP53 P04637 2/20 0.32
▸ HIF1A Q16665 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ ABL1 P00519 1/20 0.31
▸ RIN1 Q13671 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ ELANE P08246 1/20 0.31
▸ CTSG P08311 1/20 0.31
▸ HCAR2 Q8TDS4 1/20 0.31

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
SCHEMBL28358332 0.87 TSHR (0.56) TSHRHPGDHSD17B10NPSR1ALDH1A1
SCHEMBL18014862 0.78 HCAR2 (0.42) HPGDHSD17B10MAPK1ESR2LMNA
SCHEMBL11917921 0.78 — —
SCHEMBL1935586 0.78 — —
SCHEMBL6980753 0.78 — —
SCHEMBL9655871 0.77 TDP1 (0.44) TSHRHSD17B10ALDH1A1CYP3A4ABL1
Acrylic Acid Ethyl Ester SCHEMBL4449784 0.77 TSHR (0.43) TSHRHPGDHSD17B10MAPK1NPSR1
SCHEMBL8624649 0.75 IRAK4 (0.40) IRAK4
Methacrylic Acid SCHEMBL11888730 0.74 ITGB1 (0.38) TSHRLMNAIRAK4
SCHEMBL3745667 0.74 CYP1A2 (0.44) TSHRHSD17B10MAPK1LMNAIRAK4

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
CN-110746354-B Acrylate compound, preparation method and application 山东瑞博龙化工科技股份有限公司 2021-02-26 — — CN disclosed
CN-110746354-A Acrylate compound, preparation method and application 山东瑞博龙化工科技股份有限公司 2020-02-04 — — CN disclosed
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