Acetic Acid Propyl Ester

Acetic Acid Propyl Ester

SCHEMBL2354534

CC(=O)CC(C)(C)O.CCCOC(C)=O

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
CHRM1 P11229 3/20 0.42
CHRM5 P08912 2/20 0.42
CHRM3 P20309 2/20 0.42
TSHR P16473 2/20 0.42
PGR P06401 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
HTR1A P08908 1/20 0.42
CHRNB2 P17787 1/20 0.42
TBXA2R P21731 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNA4 P43681 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CHRNA10 Q9GZZ6 1/20 0.42
CHRNA9 Q9UGM1 1/20 0.42
GALR3 O60755 2/20 0.41
RAB9A P51151 2/20 0.41

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 SCHEMBL28233436 0.89 ALDH1A1 (0.67) ALDH1A1CHRM1CHRM5CHRM3TSHR
SCHEMBL28197231 0.83 HSD17B10 (0.37) ALDH1A1CHRM1TSHRTBXA2RHSD17B10
Ethyl Acetate SCHEMBL17748273 0.83 ALDH1A1 (0.61) ALDH1A1CHRM1CHRM5CHRM3TSHR
SCHEMBL31188706 0.83 ALDH1A1 (0.53) ALDH1A1CHRM1CHRM5CHRM3TSHR
Acetic Acid Propyl Ester SCHEMBL23495512 0.80 ALDH1A1 (0.70) ALDH1A1CHRM1CHRM5CHRM3TSHR
Acetic Acid Propyl Ester SCHEMBL14991 0.80
Acetic Acid Propyl Ester SCHEMBL1067099 0.78
Acetic Acid Propyl Ester SCHEMBL2520332 0.78
Acetic Acid Propyl Ester SCHEMBL18229929 0.78
Acetic Acid Propyl Ester SCHEMBL21749216 0.78 ALDH1A1 (0.67) ALDH1A1CHRM1CHRM5CHRM3TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2537003-B1 WETNESS INDICATING INK COMPOSITIONS VIDEOJET TECHNOLOGIES INC (US) 2015-05-20 EP disclosed
US-9034090-B2 Wetness indicating ink compositions VIDEOJET TECHNOLOGIES INC. (US) 2015-05-19 US disclosed
EP-2537003-A1 WETNESS INDICATING INK COMPOSITIONS Videojet Technologies, Inc. (US) 2012-12-26 EP disclosed
US-20120308787-A1 WETNESS INDICATING INK COMPOSITIONS VIDEOJET TECHNOLOGIES INC. 2012-12-06 US disclosed
WO-2011103378-A1 WETNESS INDICATING INK COMPOSITIONS VIDEOJET TECHNOLOGIES INC. (US) 2011-08-25 WO disclosed