Acrylic Acid Methyl Ester

Acrylic Acid Methyl Ester

SCHEMBL28069306

C=CC(=O)OC.[CH2]C(C)O

nearest known ligand 0.46

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Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.46
HCAR2 Q8TDS4 2/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
HPGD P15428 1/20 0.35
ALDH1A1 P00352 8/20 0.35
TP53 P04637 4/20 0.34
HIF1A Q16665 3/20 0.34
CYP3A4 P08684 2/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.31
MAPK1 P28482 1/20 0.31
TGM2 P21980 1/20 0.31
LMNA P02545 1/20 0.30

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 Methyl Ester SCHEMBL27679843 0.92 TSHR (0.48) TSHRHCAR2KEAP1NFE2L2HPGD
Acrylic Acid Methyl Ester SCHEMBL28475897 0.92 TSHR (0.48) TSHRHCAR2KEAP1NFE2L2HPGD
Acrylic Acid Methyl Ester SCHEMBL27698828 0.90 TSHR (0.46) TSHRHCAR2KEAP1NFE2L2HPGD
Acrylic Acid Methyl Ester SCHEMBL27504644 0.90 TSHR (0.50) TSHRHCAR2KEAP1NFE2L2HPGD
Acrylic Acid Methyl Ester SCHEMBL27801488 0.88 TSHR (0.45) TSHRHCAR2KEAP1NFE2L2HPGD
Acrylic Acid Methyl Ester SCHEMBL9108 0.87
Acrylic Acid Methyl Ester SCHEMBL1854813 0.87 HCAR2 (0.56) TSHRHCAR2KEAP1NFE2L2HPGD
Acrylic Acid Methyl Ester SCHEMBL7645157 0.87 HCAR2 (0.56) TSHRHCAR2KEAP1NFE2L2HPGD
Acrylic Acid Methyl Ester SCHEMBL8372969 0.84 TSHR (0.47) TSHRHCAR2KEAP1NFE2L2HPGD
Acrylic Acid Methyl Ester SCHEMBL6374667 0.84 TSHR (0.42) TSHRHCAR2KEAP1NFE2L2HPGD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103958555-B The resin of B-hydroxypropyl Γ-polyoxyalkylene ether and polymer thereof 罗门哈斯公司 2016-09-14 CN claimed