Acetic Acid Methyl Ester

Acetic Acid Methyl Ester

SCHEMBL1399323

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

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
TSHR P16473 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38
TBXA2R P21731 1/20 0.38
GALR3 O60755 1/20 0.37
MAPT P10636 1/20 0.37
BLM P54132 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 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
Acetic Acid Methyl Ester SCHEMBL4243792 0.91 TDP1 (0.50) TDP1TSHRCHRM2CHRM4CHRM1
SCHEMBL28104971 0.90 TDP1 (0.41) TDP1TSHRCHRM2CHRM4CHRM1
SCHEMBL145638 0.89 TSHR (0.45) TDP1TSHRCHRM2CHRM4CHRM1
SCHEMBL487682 0.89 TSHR (0.45) TDP1TSHRCHRM2CHRM4CHRM1
SCHEMBL10277717 0.89 TSHR (0.45) TDP1TSHRCHRM2CHRM4CHRM1
Acetic Acid Methyl Ester SCHEMBL14686023 0.86 TDP1 (0.46) TDP1TSHRALDH1A1
SCHEMBL7643964 0.86 TSHR (0.45) TDP1TSHRCHRM2CHRM4CHRM1
Acetic Acid Methyl Ester SCHEMBL28315259 0.86 TSHR (0.48) TDP1TSHRCHRM2CHRM4CHRM1
SCHEMBL925083 0.84 TDP1 (0.52) TDP1TSHRCHRM2CHRM4CHRM1
Dimethoxymethane SCHEMBL17442500 0.84 TSHR (0.41) TDP1TSHRCHRM2CHRM4CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7993440-B2 Inkjet ink MIMAKI ENGINEERING CO., LTD. (JP) 2011-08-09 US disclosed
EP-2067828-B1 inkjet ink MIMAKI ENG KK (JP) 2011-06-15 EP disclosed
EP-2067829-B1 Inkjet ink MIMAKI ENG KK (JP) 2011-03-02 EP disclosed