Acrylic Acid Methyl Ester

Acrylic Acid Methyl Ester

SCHEMBL4814930

C=CC(=O)OC.CC1(C)OCC(CO)O1

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.40
TMEM97 Q5BJF2 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NAMPT P43490 3/20 0.31
KCNJ5 P48544 1/20 0.31
KCNJ3 P48549 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL4810847 0.81 ALDH1A1 (0.46) CA2TMEM97SIGMAR1ALDH1A1NPSR1
Acrylic Acid Methyl Ester SCHEMBL27388945 0.79 ALDH1A1 (0.37) ALDH1A1
Acetic Acid SCHEMBL15955948 0.79 CA2 (0.46) CA2TMEM97SIGMAR1ALDH1A1NPSR1
SCHEMBL1357755 0.79 CA2 (0.49) CA2TMEM97SIGMAR1ALDH1A1NPSR1
SCHEMBL4965571 0.79 CA2 (0.47) CA2TMEM97SIGMAR1ALDH1A1NPSR1
SCHEMBL221388 0.79
SCHEMBL23556 0.79
SCHEMBL220145 0.79
Ethylene Glycol SCHEMBL11341777 0.78 CA2 (0.39) CA2TMEM97SIGMAR1ALDH1A1NPSR1
Acrylic Acid Methyl Ester SCHEMBL27837645 0.78 ALDH1A1 (0.36) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7416867-B2 Enzymatic production of (meth)acrylic acid esters BASF AKTIENGESELLSCHAFT (DE) 2008-08-26 US disclosed
US-20060141593-A1 Enzymatic production of (meth) acrylic acid esters BASF AKTIENGESELLSCHAFT (DE) 2006-06-29 US disclosed