Acrylic Acid Methyl Ester

Acrylic Acid Methyl Ester

SCHEMBL28221323

C=C(C)C(=O)OCCCCCCCC(C)C.C=CC(=O)OC

nearest known ligand 0.50

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Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 10/20 0.50
▸ ALDH1A1 P00352 5/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ TDP1 Q9NUW8 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ APEX1 P27695 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ HPGD P15428 2/20 0.38
▸ THRB P10828 1/20 0.37
▸ ESR1 P03372 1/20 0.31
▸ TP53 P04637 2/20 0.31
▸ HIF1A Q16665 2/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ PTPN1 P18031 1/20 0.31
▸ PLA2G2C Q5R387 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ SMN1; SMN2 Q16637 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 SCHEMBL27827983 1.00 TSHR (0.50) TSHRALDH1A1CYP3A4TDP1POLB
Acrylic Acid Methyl Ester SCHEMBL28456671 1.00 TSHR (0.50) TSHRALDH1A1CYP3A4TDP1POLB
SCHEMBL29004140 0.92 TSHR (0.56) TSHRALDH1A1CYP3A4TDP1POLB
SCHEMBL31216393 0.92 TSHR (0.56) TSHRALDH1A1CYP3A4TDP1POLB
SCHEMBL26628042 0.89 TSHR (0.53) TSHRALDH1A1CYP3A4TDP1POLB
Maleic Anhydride SCHEMBL5506494 0.89 TSHR (0.40) TSHRALDH1A1CYP3A4TDP1POLB
Acrylic Acid Methyl Ester SCHEMBL26641438 0.88 TSHR (0.47) TSHRALDH1A1CYP3A4TDP1HPGD
SCHEMBL28324927 0.88 TSHR (0.49) TSHRALDH1A1CYP3A4TDP1POLB
SCHEMBL7912783 0.87 TSHR (0.45) TSHRALDH1A1CYP3A4TDP1POLB
Acrylic Acid SCHEMBL27544030 0.87 TSHR (0.54) TSHRALDH1A1CYP3A4TDP1POLB

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-106029810-B Two-component adhesive and structural component comprising the same 3M创新有限公司 2018-06-15 — — CN disclosed
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