Acetic Acid Methyl Ester

Acetic Acid Methyl Ester

SCHEMBL4243789

COC(C)=O.COC(C)COC(C)CO

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
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
GALR3 O60755 1/20 0.31
MAPT P10636 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 SCHEMBL2519346 0.90
SCHEMBL16073 0.87 TSHR (0.33) TSHR
SCHEMBL7863088 0.87 TSHR (0.33) TSHR
SCHEMBL9444686 0.87 TDP1 (0.34) ALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL725829 0.85 TDP1 (0.34) TSHR
SCHEMBL17351932 0.85 TDP1 (0.34) TSHR
SCHEMBL16192 0.85 TDP1 (0.34) TSHR
SCHEMBL5866476 0.85 TDP1 (0.34) TSHR
SCHEMBL5866458 0.85 TDP1 (0.34) TSHR
SCHEMBL549081 0.85 TDP1 (0.34) TSHR

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