Acetic Acid Methyl Ester

Acetic Acid Methyl Ester

SCHEMBL4243792

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

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 2/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 2/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
MAPK1 P28482 1/20 0.31
MAPT P10636 2/20 0.31
GALR3 O60755 1/20 0.31
BLM P54132 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
Acetic Acid Methyl Ester SCHEMBL14686023 0.94 TDP1 (0.46) TDP1ALDH1A1HSD17B10KDM4EMEN1
Acetic Acid Methyl Ester SCHEMBL1399323 0.91 TDP1 (0.43) TDP1ALDH1A1TSHRCHRM2CHRM4
Acetic Acid SCHEMBL8377984 0.90 TDP1 (0.52) TDP1HSD17B10TSHRMAPK1MAPT
SCHEMBL15831103 0.87 TDP1 (0.61) TDP1ALDH1A1HSD17B10TSHRMAPK1
SCHEMBL16072 0.87 TDP1 (0.61) TDP1ALDH1A1HSD17B10TSHRMAPK1
SCHEMBL3362729 0.87 TDP1 (0.61) TDP1ALDH1A1HSD17B10TSHRMAPK1
SCHEMBL5866490 0.85 TDP1 (0.59) TDP1HSD17B10TSHRMAPK1
SCHEMBL3896807 0.85 TDP1 (0.59) TDP1HSD17B10TSHRMAPK1
Methoxymethane SCHEMBL7525161 0.85 TDP1 (0.59) TDP1HSD17B10TSHRMAPK1
Water SCHEMBL5185896 0.85 TDP1 (0.59) TDP1HSD17B10TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2067830-B1 Inkjet ink MIMAKI ENG KK (JP) 2013-02-13 EP claimed
EP-2067830-B1 Inkjet ink MIMAKI ENG KK (JP) 2013-02-13 EP disclosed
US-7901495-B2 Inkjet ink MIMAKI ENGINEERING CO., LTD. (JP) 2011-03-08 US disclosed
EP-2067828-A1 inkjet ink Mimaki Engineering Co., Ltd. (JP) 2009-06-10 EP disclosed
EP-2067829-A1 Inkjet ink Mimaki Engineering Co., Ltd. (JP) 2009-06-10 EP disclosed
EP-2067830-A1 Inkjet ink Mimaki Engineering Co., Ltd. (JP) 2009-06-10 EP disclosed
US-20090139432-A1 INKJET INK MIMAKI ENGINEERING CO., LTD. (JP) 2009-06-04 US disclosed
US-20090143509-A1 INKJET INK MIMAKI ENGINEERING CO., LTD. (JP) 2009-06-04 US disclosed
US-20090139431-A1 INKJET INK MIMAKI ENGINEERING CO., LTD. (JP) 2009-06-04 US disclosed