Acetic Acid Propyl Ester

Acetic Acid Propyl Ester

SCHEMBL6141126

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

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 2/20 0.41
MAPT P10636 1/20 0.37
CHRM5 P08912 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
PGR P06401 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
HTR1A P08908 1/20 0.36
CHRNB2 P17787 1/20 0.36
TBXA2R P21731 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CHRNA10 Q9GZZ6 1/20 0.36
CHRNA9 Q9UGM1 1/20 0.36

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 Propyl Ester SCHEMBL896810 0.91 TDP1 (0.51) TDP1ALDH1A1HSD17B10MAPTCHRM5
Acetic Acid Butyl Ester SCHEMBL4514621 0.90 ALDH1A1 (0.56) TDP1ALDH1A1HSD17B10MAPTCHRM5
Ethyl Acetate SCHEMBL2517950 0.86 ALDH1A1 (0.50) TDP1ALDH1A1HSD17B10MAPTCHRM5
SCHEMBL29055276 0.85 TDP1 (0.39) TDP1ALDH1A1CHRM5CHRM1CHRM3
Acetic Acid Propyl Ester SCHEMBL1445156 0.84 ALDH1A1 (0.52) TDP1ALDH1A1HSD17B10MAPTCHRM5
Acetic Acid SCHEMBL2942573 0.83 TDP1 (0.61) TDP1ALDH1A1HSD17B10MAPTALOX15
Acetic Acid Butyl Ester SCHEMBL2692488 0.83 ALDH1A1 (0.47) TDP1ALDH1A1HSD17B10MAPTTSHR
Acetic Acid Propyl Ester SCHEMBL10320542 0.82 ALDH1A1 (0.50) TDP1ALDH1A1HSD17B10MAPTCHRM5
Acetic Acid Pentyl Ester SCHEMBL6531005 0.82 TDP1 (0.44) TDP1ALDH1A1MAPTTSHRLMNA
Hexyl Acetate SCHEMBL896909 0.81 TDP1 (0.43) TDP1ALDH1A1MAPTTSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130295807-A1 SIZING ADDITIVES FOR DRYCLEANING PROCESSES FABRITEC INTERNAT CORP (US) 2013-11-07 US claimed
US-20120329349-A1 SIZING ADDITIVES FOR DRYCLEANING PROCESSES FABRITEC INTERNATIONAL CORPORATION (US) 2012-12-27 US claimed
US-8795543-B2 Sizing additives for drycleaning processes FABRITEC INTERNATIONAL CORPORATION (US) 2014-08-05 US disclosed
US-20130295807-A1 SIZING ADDITIVES FOR DRYCLEANING PROCESSES FABRITEC INTERNAT CORP (US) 2013-11-07 US disclosed
US-8507045-B2 Sizing additives for drycleaning processes FABRITEC INTERNATIONAL CORPORATION (US) 2013-08-13 US disclosed
US-20120329349-A1 SIZING ADDITIVES FOR DRYCLEANING PROCESSES FABRITEC INTERNATIONAL CORPORATION (US) 2012-12-27 US disclosed
EP-1535976-A1 Composition for film formation, method for preparing the composition, and method for forming insulating film JSR Corporation (JP) 2005-06-01 EP disclosed
US-20050112386-A1 Composition for film formation, method for preparing the composition, and method for forming insulating film JSR CORPORATION (JP) 2005-05-26 US disclosed