Acrylic Acid Methyl Ester

Acrylic Acid Methyl Ester

SCHEMBL28100202

C=CC(=O)OC.C=Cc1ccccc1C=C.OCCO

nearest known ligand 0.39

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.39
NFE2L2 Q16236 2/20 0.39
TSHR P16473 3/20 0.37
THRA P10827 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TGM2 P21980 1/20 0.34
TFEB P19484 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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 SCHEMBL2089667 0.93 NFE2L2 (0.40) THRBNFE2L2TSHRTHRAKDM4E
Acrylic Acid Methyl Ester SCHEMBL28166951 0.93 NFE2L2 (0.40) THRBNFE2L2TSHRTHRAKDM4E
Acrylic Acid Methyl Ester SCHEMBL27552597 0.88 THRB (0.40) THRBNFE2L2TSHRKDM4ETGM2
Styrene SCHEMBL18339275 0.85 ALDH1A1 (0.47) THRBTSHRKDM4EALDH1A1TGM2
Acrylic Acid Methyl Ester SCHEMBL28247748 0.83 THRB (0.35) THRBNFE2L2THRAKDM4EALDH1A1
Acrylic Acid Methyl Ester SCHEMBL27522901 0.83 ALDH1A1 (0.42) THRBNFE2L2TSHRKDM4EALDH1A1
Acrylic Acid Methyl Ester SCHEMBL28100200 0.82 TAS1R3 (0.42) THRBTSHRALDH1A1TGM2
Acrylic Acid Methyl Ester SCHEMBL28106400 0.82 MTNR1A (0.48) KDM4EALDH1A1CYP2C19
Acrylic Acid Methyl Ester SCHEMBL28217162 0.81 ALDH1A1 (0.60) TSHRKDM4EALDH1A1
Acrylic Acid Methyl Ester SCHEMBL302020 0.81 TSHR (0.52) THRBNFE2L2TSHRALDH1A1CYP3A4

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