Acetic Acid Methyl Ester

Acetic Acid Methyl Ester

SCHEMBL3409709

COC(C)=O.COCCCO

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
TSHR P16473 2/20 0.43
RECQL P46063 1/20 0.38
GAA P10253 2/20 0.35
POLB P06746 2/20 0.35
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
CYP4A11 Q02928 3/20 0.34
EPHX2 P34913 1/20 0.34
CYP4F2 P78329 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ACHE P22303 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
Acetone SCHEMBL28164626 0.90 ALDH1A1 (0.46) ALDH1A1TSHRRECQLGAAPOLB
Acetic Acid SCHEMBL9860275 0.87 ALDH1A1 (0.50) ALDH1A1TSHRRECQLGAAPOLB
1,4-Butanediol SCHEMBL4628862 0.84 ALDH1A1 (0.62) ALDH1A1TSHRGAAPOLBMGAM
SCHEMBL4742 0.84
Butanone SCHEMBL6931341 0.83 ALDH1A1 (0.48) ALDH1A1TSHRRECQLGAAMGAM
SCHEMBL10442088 0.81 ALDH1A1 (0.40) ALDH1A1TSHRRECQLGAASMN1; SMN2
Methyl Alcohol SCHEMBL14861499 0.81
Ethylene Glycol SCHEMBL4969618 0.81 ALDH1A1 (0.40) ALDH1A1TSHRRECQLGAASMN1; SMN2
Acetic Acid Methyl Ester SCHEMBL28848187 0.81 ALDH1A1 (0.67) ALDH1A1TSHRGAAMGAMSI
Hydrochloric Acid SCHEMBL5618162 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2134899-B1 PROCESS FOR THE PREPARATION OF A SEMIFINISHED MATERIAL TO BE USED TO PRODUCE LEATHER- LIKE ARTICLES OR COATED FABRICS AND MATERIAL THEREOF FISCAGOMMA S P A (IT) 2010-12-15 EP claimed
EP-2134899-A1 PROCESS FOR THE PREPARATION OF A SEMIFINISHED MATERIAL TO BE USED TO PRODUCE LEATHER- LIKE ARTICLES OR COATED FABRICS AND MATERIAL THEREOF Fiscagomma S.p.A. (IT) 2009-12-23 EP claimed
WO-2008114284-A1 PROCESS FOR THE PREPARATION OF A SEMIFINISHED MATERIAL TO BE USED TO PRODUCE LEATHER- LIKE ARTICLES OR COATED FABRICS AND MATERIAL THEREOF FISCAGOMMA S.P.A. (IT) 2008-09-25 WO claimed
EP-2134899-B1 PROCESS FOR THE PREPARATION OF A SEMIFINISHED MATERIAL TO BE USED TO PRODUCE LEATHER- LIKE ARTICLES OR COATED FABRICS AND MATERIAL THEREOF FISCAGOMMA S P A (IT) 2010-12-15 EP disclosed
EP-2134899-A1 PROCESS FOR THE PREPARATION OF A SEMIFINISHED MATERIAL TO BE USED TO PRODUCE LEATHER- LIKE ARTICLES OR COATED FABRICS AND MATERIAL THEREOF Fiscagomma S.p.A. (IT) 2009-12-23 EP disclosed
WO-2008114284-A1 PROCESS FOR THE PREPARATION OF A SEMIFINISHED MATERIAL TO BE USED TO PRODUCE LEATHER- LIKE ARTICLES OR COATED FABRICS AND MATERIAL THEREOF FISCAGOMMA S.P.A. (IT) 2008-09-25 WO disclosed