Acetic Acid Methyl Ester

Acetic Acid Methyl Ester

SCHEMBL28846649

COC(=O)CC(C)=O.COC(C)=O

nearest known ligand 0.88

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.88
GAA P10253 1/20 0.88
SI P14410 1/20 0.88
MGAM2 Q2M2H8 1/20 0.88
ALDH1A1 P00352 7/20 0.59
TSHR P16473 5/20 0.50
HSD17B10 Q99714 3/20 0.46
LMNA P02545 3/20 0.41
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 2/20 0.37
TET2 Q6N021 1/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 2/20 0.36
CA12 O43570 1/20 0.36
CA14 Q9ULX7 1/20 0.36
RECQL P46063 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
KDM6B O15054 1/20 0.35
KDM5C P41229 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35

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
SCHEMBL1162 0.94
SCHEMBL27677215 0.94 MGAM (1.00) MGAMGAASIMGAM2ALDH1A1
SCHEMBL1436463 0.91
SCHEMBL11019941 0.91
SCHEMBL303851 0.91
SCHEMBL303032 0.91
SCHEMBL303752 0.91
SCHEMBL17433643 0.91 MGAM (0.94) MGAMGAASIMGAM2ALDH1A1
SCHEMBL20942931 0.91
SCHEMBL9248466 0.91 MGAM (0.94) MGAMGAASIMGAM2ALDH1A1

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
CN-106824285-B A kind of preparation method and applications of active methylene compound alkylation catalyst 邯郸学院 2019-08-23 CN disclosed
CN-106824285-A A kind of preparation method and applications of active methylene compound alkylation catalyst 邯郸学院 2017-06-13 CN disclosed