Acetic Acid Butyl Ester

Acetic Acid Butyl Ester

SCHEMBL9314217

CC(=O)OCC(C)O.CCCCOC(C)=O.COC

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.64
MAPT P10636 1/20 0.50
TSHR P16473 5/20 0.43
HPGD P15428 2/20 0.43
ATM Q13315 1/20 0.41
HSD17B10 Q99714 1/20 0.39
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PGR P06401 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
HTR1A P08908 1/20 0.38
CHRNB2 P17787 1/20 0.38
TBXA2R P21731 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38

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 Butyl Ester SCHEMBL13684349 0.91 ALDH1A1 (0.67) ALDH1A1MAPTTSHRHPGDATM
Acetic Acid Butyl Ester SCHEMBL1261472 0.88 ALDH1A1 (0.62) ALDH1A1MAPTTSHRHPGDATM
SCHEMBL911219 0.87 ALDH1A1 (0.55) ALDH1A1MAPTTSHRHPGDATM
Methoxymethane SCHEMBL3612869 0.86 ALDH1A1 (0.44) ALDH1A1MAPTTSHRHPGDHSD17B10
Acetic Acid Pentyl Ester SCHEMBL27566856 0.86 ALDH1A1 (0.59) ALDH1A1MAPTTSHRHSD17B10HCAR2
Propane SCHEMBL9161378 0.85 MAPT (0.46) ALDH1A1MAPTTSHRHPGDHSD17B10
Acetic Acid Butyl Ester SCHEMBL3043571 0.85 ALDH1A1 (0.82) ALDH1A1MAPTTSHRHPGDATM
Methoxymethane SCHEMBL77800 0.84 MAPT (0.44) ALDH1A1MAPTTSHRHPGDHSD17B10
Acetic Acid Butyl Ester SCHEMBL9788282 0.84 ALDH1A1 (0.90) ALDH1A1TSHRHPGDATMHSD17B10
Acetic Acid Butyl Ester SCHEMBL28292507 0.84 ALDH1A1 (0.62) ALDH1A1MAPTTSHRHPGDATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5308903-A Applying with a molybdate modified zinc phosphate, a zinc benzoate, and an alkaline earth metal phosphate; corrosion resistance THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1994-05-03 US disclosed
US-5290840-A For aircraft, mixture of inorganic phosphate pigments, zinc salt of a benzoic acid, and alkaline earth metal metaborate THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1994-03-01 US disclosed
US-5290839-A For aircraft, mixture of inorganic phosphate pigments and zinc salt of a benzoic acid THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1994-03-01 US disclosed
US-5290599-A Applying coating of polyurethane binder, alkaline earth metal phosphate, zinc benzoate, alkaline earth metal metaborate, titanium dioxide pigment, oil soluble dispersant, organic solvent; corrosion resistance THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1994-03-01 US disclosed