Acrylic Acid Methyl Ester

Acrylic Acid Methyl Ester

SCHEMBL28100200

C=CC(=O)OC.C=Cc1ccc(C=C)cc1.OCCO

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.42
TAS1R1 Q7RTX1 2/20 0.42
ALDH1A1 P00352 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
TYR P14679 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
TSHR P16473 1/20 0.39
THRB P10828 2/20 0.38
TTR P02766 1/20 0.38
APP P05067 1/20 0.38
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TRPA1 O75762 1/20 0.37
GSK3B P49841 1/20 0.36
TP53 P04637 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 Methyl Ester SCHEMBL27656993 0.92 ALDH1A1 (0.48) TAS1R3TAS1R1ALDH1A1CA12CA1
Acrylic Acid Methyl Ester SCHEMBL11015288 0.85 TGM2 (0.46) TAS1R3TAS1R1ALDH1A1CA12CA1
4-Vinylphenol SCHEMBL482612 0.85 CA1 (0.58) TAS1R3TAS1R1ALDH1A1CA12CA1
Acrylic Acid Methyl Ester SCHEMBL27662771 0.84 TSHR (0.52) ALDH1A1TSHRTHRBTDP1TP53
Acrylic Acid Methyl Ester SCHEMBL302020 0.84 TSHR (0.52) ALDH1A1TSHRTHRBTDP1TP53
Styrene SCHEMBL6682718 0.83 MEN1 (0.44) ALDH1A1TSHRTHRB
Styrene SCHEMBL137827 0.83 ALDH1A1 (0.54) ALDH1A1CA12CA1CA2TYR
Styrene SCHEMBL27629074 0.83 ALDH1A1 (0.54) ALDH1A1CA12CA1CA2TYR
Acrylic Acid Methyl Ester SCHEMBL28191004 0.83 TP53 (0.41) TAS1R3TAS1R1ALDH1A1CA12CA1
Acrylic Acid Methyl Ester SCHEMBL28100202 0.82 THRB (0.39) ALDH1A1TSHRTHRBTGM2

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
CN-107075015-B Surfactant-compatibility star-like macromolecules 派诺聚合物技术公司 2019-08-23 CN disclosed
CN-105263978-B Salt tolerant star-like macromolecules ATRP解决方案公司 2018-04-17 CN disclosed
CN-107075015-A Surfactant compatibility star-like macromolecules ATRP解决方案公司 2017-08-18 CN disclosed
CN-105935344-A Star macromolecules for personal and home care ATRP解决方案公司 2016-09-14 CN disclosed