Acetic Acid Methyl Ester

Acetic Acid Methyl Ester

SCHEMBL3409715

CCC(O)OC.COC(C)=O

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
TSHR P16473 7/20 0.43
HSD17B10 Q99714 2/20 0.36
LMNA P02545 1/20 0.36
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
MMP1 P03956 2/20 0.32
MMP2 P08253 2/20 0.32
CA12 O43570 1/20 0.32
MMP8 P22894 1/20 0.32
CA9 Q16790 1/20 0.32
MMP3 P08254 1/20 0.31
USP2 O75604 1/20 0.31
TDP1 Q9NUW8 2/20 0.31
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30

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 SCHEMBL7668393 0.90 TSHR (0.48) ALDH1A1TSHRHSD17B10LMNAMGAM
Acetic Acid SCHEMBL29076 0.87 TSHR (0.46) ALDH1A1TSHRHSD17B10LMNAMGAM
Butanone SCHEMBL3857935 0.85 ALDH1A1 (0.50) ALDH1A1TSHRHSD17B10LMNAMGAM
SCHEMBL16668528 0.84
SCHEMBL13611580 0.84
SCHEMBL20648 0.84
Butanone SCHEMBL3678047 0.83 ALDH1A1 (0.48) ALDH1A1TSHRMGAMGAASI
Acetic Acid Methyl Ester SCHEMBL28634905 0.81 ALDH1A1 (0.59) ALDH1A1TSHRHSD17B10LMNAMGAM
Methyl Alcohol SCHEMBL14861497 0.81
SCHEMBL5487434 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