Acetic Acid Methyl Ester

Acetic Acid Methyl Ester

SCHEMBL30680409

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

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
TSHR P16473 2/20 0.43
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 2/20 0.35
HSP90AA1 P07900 1/20 0.35
MAPT P10636 1/20 0.35
FFAR3 O14843 1/20 0.35
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
SLC7A5 Q01650 1/20 0.35
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
CA14 Q9ULX7 1/20 0.33

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
Lactic Acid SCHEMBL27794556 0.85 TP53 (0.65) ALDH1A1TSHRTP53SMN1; SMN2
Acetic Acid Methyl Ester SCHEMBL10910184 0.80
Acetic Acid SCHEMBL10630506 0.79 FFAR3 (0.58) ALDH1A1TSHRTP53FFAR3LCK
Acetic Acid SCHEMBL6238375 0.79 FFAR3 (0.58) ALDH1A1TSHRTP53FFAR3LCK
Acetic Acid SCHEMBL1238242 0.79 FFAR3 (0.58) ALDH1A1TSHRTP53FFAR3LCK
Acetone SCHEMBL8214565 0.79 TP53 (0.53) ALDH1A1TSHRTP53FFAR3LCK
Acetic Acid SCHEMBL300016 0.79 FFAR3 (0.58) ALDH1A1TSHRTP53FFAR3LCK
Acetic Acid SCHEMBL10637065 0.79 FFAR3 (0.58) ALDH1A1TSHRTP53FFAR3LCK
Acetic Acid SCHEMBL21806304 0.79 FFAR3 (0.58) ALDH1A1TSHRTP53FFAR3LCK
Acetic Acid SCHEMBL7527682 0.79 FFAR3 (0.58) ALDH1A1TSHRTP53FFAR3LCK

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-220159272-U Process device for removing formaldehyde in (methyl) acrylic acid methyl ester crude product 江苏湖大化工科技有限公司 2023-12-12 CN disclosed