Acetic Acid Methyl Ester

Acetic Acid Methyl Ester

SCHEMBL8524734

CCOCCC(=O)OCC.COC(C)=O

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
TSHR P16473 2/20 0.52
GAA P10253 2/20 0.48
MGAM O43451 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
LMNA P02545 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP1A2 P05177 1/20 0.44
THRB P10828 1/20 0.41
TRPA1 O75762 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
NR1I2 O75469 1/20 0.36
PGR P06401 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
PTGS2 P35354 1/20 0.36

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
SCHEMBL19514117 0.90 GAA (0.50) ALDH1A1TSHRGAAMGAMSI
Acetone SCHEMBL10697359 0.90 ALDH1A1 (0.52) ALDH1A1TSHRGAAMGAMSI
SCHEMBL27502689 0.89 GAA (0.52) ALDH1A1TSHRGAAMGAMSI
SCHEMBL37036 0.89 GAA (0.52) ALDH1A1TSHRGAAMGAMSI
Acetic Acid SCHEMBL28150856 0.88 ALDH1A1 (0.47) ALDH1A1TSHRGAAMGAMSI
Acetic Acid SCHEMBL31108829 0.88 ALDH1A1 (0.50) ALDH1A1TSHRGAAMGAMSI
Hydrochloric Acid SCHEMBL27549704 0.87 GAA (0.50) ALDH1A1TSHRGAAMGAMSI
SCHEMBL28084236 0.86 CYP1A2 (0.45) ALDH1A1TSHRGAAMGAMSI
SCHEMBL29045278 0.86 CYP1A2 (0.45) ALDH1A1TSHRGAAMGAMSI
SCHEMBL29929306 0.85 ALDH1A1 (0.52) ALDH1A1TSHRGAAMGAMSI

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
US-5928839-A COATING METAL LAYERS WITH LAYERS OF CURABLE PHOTOIMAGEABLE COMPOSITION, POLYMERIZABLE ACRYLATE MONOMER, OLIGOMER FORMED BY REACTION OF AN EPOXY RESIN AND ACRYLIC OR METHACRYLIC ACID, PHOTOSENSITIVE INITIATOR, EPOXY RESIN, CURING AGENT, CURING MORTON INTERNATIONAL, INC. (US) 1999-07-27 US disclosed
US-5700607-A HAVING PERMANENT INNERLAYERS OF LIGHT- AND HEAT-CURED PHOTORESIST COMPRISING ACRYLATE MONOMER, ACRYLATED EPOXY RESIN, CURABLE EPOXY RESIN, CURING AGENT, CROSSLINKING AGENT, FILLER MORTON INTERNATIONAL, INC. (US) 1997-12-23 US disclosed
US-5229252-A Solder mask for printed circuit board MORTON INTERNATIONAL, INC. (US) 1993-07-20 US disclosed