Acetic Acid Methyl Ester

Acetic Acid Methyl Ester

SCHEMBL1275905

CCCOCCO.COC(C)=O

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
ALDH1A1 P00352 5/20 0.46
MAPK1 P28482 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
THRB P10828 1/20 0.45
HTT P42858 1/20 0.45
MAPT P10636 1/20 0.45
ACHE P22303 1/20 0.38
EPHX2 P34913 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CES2 O00748 1/20 0.33
LMNA P02545 1/20 0.33
PLA2G2C Q5R387 1/20 0.33
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32

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
Di(Hydroxyethyl)Ether SCHEMBL721175 0.91 ALDH1A1 (0.56) TSHRALDH1A1MAPK1MEN1KMT2A
Triethylene Glycol SCHEMBL11270224 0.88 MEN1 (0.58) TSHRALDH1A1MAPK1MEN1KMT2A
Acetic Acid Methyl Ester SCHEMBL28157105 0.88 ALDH1A1 (0.53) TSHRALDH1A1MEN1KMT2ATHRB
Butoxyethanol SCHEMBL27636881 0.87 TSHR (0.71) TSHRALDH1A1MAPK1MEN1KMT2A
Di(Hydroxyethyl)Ether SCHEMBL483309 0.86 ALDH1A1 (0.56) TSHRALDH1A1MAPK1MEN1KMT2A
Di(Hydroxyethyl)Ether SCHEMBL8507732 0.86 ALDH1A1 (0.50) TSHRALDH1A1MAPK1MEN1KMT2A
Acetic Acid SCHEMBL26934034 0.86 TSHR (0.54) TSHRALDH1A1MAPK1MEN1KMT2A
Di(Hydroxyethyl)Ether SCHEMBL27602727 0.86 TSHR (0.54) TSHRALDH1A1MAPK1MEN1KMT2A
Acetic Acid Methyl Ester SCHEMBL28122180 0.85 TSHR (0.68) TSHRALDH1A1MAPK1MEN1KMT2A
Tetraethylene Glycol SCHEMBL2702085 0.84 ALDH1A1 (0.54) TSHRALDH1A1MAPK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2279228-B1 USE OF A SILICONE FREE DEFOAMER FOR SOLVENT BASED COATINGS BASF SE (DE) 2019-08-07 EP disclosed
US-8309648-B2 Silicone free defoamer for solvent based coatings BASF SE (DE) 2012-11-13 US disclosed
US-20110166284-A1 SILICONE FREE DEFOAMER FOR SOLVENT BASED COATINGS BASF SE (DE) 2011-07-07 US disclosed
EP-2279228-A1 SILICONE FREE DEFOAMER FOR SOLVENT BASED COATINGS BASF SE (DE) 2011-02-02 EP disclosed
WO-2009138343-A1 SILICONE FREE DEFOAMER FOR SOLVENT BASED COATINGS BASF SE (DE) 2009-11-19 WO disclosed