Acetic Acid Methyl Ester

Acetic Acid Methyl Ester

SCHEMBL31599324

COC(C)=O.O=C(O)CO

nearest known ligand 0.62

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
TSHR P16473 5/20 0.40
LDHA P00338 1/20 0.39
SRR Q9GZT4 1/20 0.39
EGLN1 Q9GZT9 2/20 0.39
FFAR3 O14843 2/20 0.37
LMNA P02545 2/20 0.36
HSD17B10 Q99714 2/20 0.36
SLC15A2 Q16348 1/20 0.36
KDM4E B2RXH2 1/20 0.36
KDM6B O15054 1/20 0.36
KDM5C P41229 1/20 0.36
PHF8 Q9UPP1 1/20 0.36
KDM2A Q9Y2K7 1/20 0.36
LCK P06239 1/20 0.35
FYN P06241 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
Acetic Acid Methyl Ester SCHEMBL7121041 0.90
Glycolic Acid SCHEMBL28818431 0.84 TSHR (0.42) ALDH1A1MGAMGAASIMGAM2
Glycolic Acid SCHEMBL3826792 0.83
Propionic Acid SCHEMBL10974145 0.81 ALDH1A1 (0.62) ALDH1A1MGAMGAASIMGAM2
Acetic Acid Methyl Ester SCHEMBL2700263 0.80
Acetic Acid Methyl Ester SCHEMBL260943 0.80
Acetic Acid Methyl Ester SCHEMBL27612310 0.80 ALDH1A1 (0.71) ALDH1A1MGAMGAASIMGAM2
Acetic Acid Methyl Ester SCHEMBL2482712 0.80 ALDH1A1 (0.71) ALDH1A1MGAMGAASIMGAM2
Acetic Acid Methyl Ester SCHEMBL28156434 0.80 ALDH1A1 (0.71) ALDH1A1MGAMGAASIMGAM2
Glycolic Acid SCHEMBL2126630 0.79

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-116640461-B Core-shell dye, near infrared absorbing composition, and film, optical filter and complementary metal oxide semiconductor image sensor using the same 三星SDI株式会社 2025-05-30 CN disclosed