Acrylic Acid Methyl Ester

Acrylic Acid Methyl Ester

SCHEMBL27780920

C(OCC1CO1)C1CO1.C=CC(=O)OC.OCC(O)CO

nearest known ligand 0.40

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Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
TSHR P16473 3/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.31
TP53 P04637 1/20 0.30
CYP3A4 P08684 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 SCHEMBL27338064 0.89 ALDH1A1 (0.48) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
Acrylic Acid Methyl Ester SCHEMBL28067879 0.88 ALDH1A1 (0.47) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
Cyclohexane SCHEMBL16341757 0.85 ALDH1A1 (0.44) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
Glycerin SCHEMBL1897788 0.85 ALDH1A1 (0.44) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
Glycerin SCHEMBL28172845 0.85 ALDH1A1 (0.44) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
1,6-Hexanediol SCHEMBL27322499 0.84 ALDH1A1 (0.41) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
Acrylic Acid Methyl Ester SCHEMBL27817264 0.83 TSHR (0.45) ALDH1A1TSHRMAPK1SMN1; SMN2TP53
Acrylic Acid Methyl Ester SCHEMBL27759543 0.83 ALDH1A1 (0.46) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
Glycerin SCHEMBL29289296 0.83 ALDH1A1 (0.48) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
Acrylic Acid Methyl Ester SCHEMBL28078196 0.82 ALDH1A1 (0.44) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104105759-A Pi-CONJUGATED PHTHALOCYANINE PIGMENT, METHOD FOR PRODUCING SAID Pi-CONJUGATED PHTHALOCYANINE PIGMENT, AND COLORED COMPOSITION PREPARED USING SAID Pi-CONJUGATED PHTHALOCYANINE PIGMENT TOYO INK SC HOLDINGS CO LTD 2014-10-15 CN disclosed
CN-101544847-B Producing process for microfined organic pigment, microfined organic pigment and microfined organic pigment coloring composition TOYO INK MFG CO 2013-08-28 CN disclosed
CN-101544847-A Producing process for microfined organic pigment, microfined organic pigment and microfined organic pigment coloring composition TOYO INK MFG CO (JP) 2009-09-30 CN disclosed