Acrylic Acid Methyl Ester

Acrylic Acid Methyl Ester

SCHEMBL27780922

C=CC(=O)OC.CC(COCC1CO1)OCC1CO1

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
TSHR P16473 3/20 0.35
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31

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 SCHEMBL76363 0.87 ALDH1A1 (0.41) ALDH1A1TSHRMAPK1SMN1; SMN2
Acrylic Acid SCHEMBL14110056 0.85 ALDH1A1 (0.39) ALDH1A1TSHRMAPK1SMN1; SMN2
Acrylic Acid SCHEMBL16341397 0.85 ALDH1A1 (0.39) ALDH1A1TSHRMAPK1SMN1; SMN2
Acrylic Acid Methyl Ester SCHEMBL27338064 0.84 ALDH1A1 (0.48) ALDH1A1TSHRMAPK1SMN1; SMN2
SCHEMBL8017741 0.84 ALDH1A1 (0.38) ALDH1A1TSHRMAPK1SMN1; SMN2
SCHEMBL10419319 0.83 ALDH1A1 (0.42) ALDH1A1TSHRMAPK1SMN1; SMN2
SCHEMBL4863709 0.83 TSHR (0.54) ALDH1A1TSHRMAPK1SMN1; SMN2
Acrylic Acid Methyl Ester SCHEMBL28067879 0.82 ALDH1A1 (0.47) ALDH1A1TSHRMAPK1SMN1; SMN2
Acrylic Acid Methyl Ester SCHEMBL27817264 0.81 TSHR (0.45) ALDH1A1TSHRMAPK1SMN1; SMN2
Acrylic Acid Methyl Ester SCHEMBL27759543 0.81 ALDH1A1 (0.46) ALDH1A1TSHRMAPK1SMN1; SMN2

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