Acetic Acid Methyl Ester

Acetic Acid Methyl Ester

SCHEMBL997367

CC1=CC(C)CCC1.COC(C)=O

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
TAS2R46 P59540 2/20 0.33
THRB P10828 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
OAT P04181 1/20 0.30

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
SCHEMBL8505902 0.82
SCHEMBL35718 0.82
SCHEMBL8743414 0.82 ALDH1A1 (0.31) ALDH1A1
Hydrochloric Acid SCHEMBL8743392 0.79 APOBEC3A (0.31)
Glyoxylate SCHEMBL1707446 0.79 OAT (0.33) ALDH1A1OAT
SCHEMBL6588256 0.76
SCHEMBL9658040 0.74 KMT2A (0.38) KMT2ATDP1
SCHEMBL6589860 0.74 KMT2A (0.38) KMT2ATDP1
SCHEMBL11583404 0.74 CYP19A1 (0.39) TAS2R46MEN1KMT2AOAT
SCHEMBL6899350 0.73 ESR1 (0.33) OAT

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4356894-A1 SUSTAINABLE PRODUCT WITH MALODORS Beiersdorf AG (DE) 2024-04-24 EP claimed
WO-2018145219-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING ADDICTIONS BY MEANS OF AVERSIVE COUNTERCONDITIONING SERANI MOSTAZAL JORGE (CL) 2018-08-16 WO claimed
US-6844302-B1 Encapsulated flavor and fragrance INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2005-01-18 US claimed
EP-4356894-A1 SUSTAINABLE PRODUCT WITH MALODORS Beiersdorf AG (DE) 2024-04-24 EP disclosed
EP-2907568-B1 A FRAGRANCE-DELIVERY COMPOSITION COMPRISING PERSULFATE ION-CROSSLINKED POLYVINYL ALCOHOL MICROCAPSULES AND METHOD OF USE THEREOF ENCAPSYS LLC (US) 2017-12-06 EP disclosed
EP-2907568-A1 A FRAGRANCE-DELIVERY COMPOSITION COMPRISING PERSULFATE ION-CROSSLINKED POLYVINYL ALCOHOL MICROCAPSULES AND METHOD OF USE THEREOF APPVION, INC. (US) 2015-08-19 EP disclosed
US-8440265-B2 Water- and heat-resistant scratch-and-sniff coating APPLETON PAPERS INC. (US) 2013-05-14 US disclosed
US-20110253584-A1 WATER- AND HEAT-RESISTANT SCRATCH-AND-SNIFF COATING ENCAPSYS, LLC 2011-10-20 US disclosed
EP-2364205-A2 A FRAGRANCE-DELIVERY COMPOSITION COMPRISING BORON AND PERSULFATE ION-CROSSLINKED POLYVINYL ALCOHOL MICROCAPSULES AND METHOD OF USE THEREOF APPLETON PAPERS INC. (US) 2011-09-14 EP disclosed
US-7915215-B2 Fragrance-delivery composition comprising boron and persulfate ion-crosslinked polyvinyl alcohol microcapsules and method of use thereof APPLETON PAPERS INC. (US) 2011-03-29 US disclosed
EP-2272541-A1 AROMATIC AGENT COMPOSITION FOR OPENABLE STORAGE SPACE Kobayashi Pharmaceutical Co., Ltd. (JP) 2011-01-12 EP disclosed
US-20100099594-A1 Fragrance-delivery composition comprising boron and persulfate ion-crosslinked polyvinyl alcohol microcapsules and method of use thereof IPS ADHESIVES LLC 2010-04-22 US disclosed
WO-2010044834-A2 A FRAGRANCE-DELIVERY COMPOSITION COMPRISING BORON AND PERSULFATE ION-CROSSLINKED POLYVINYL ALCOHOL MICROCAPSULES AND METHOD OF USE THEREOF APPLETON PAPERS INC. (US) 2010-04-22 WO disclosed
US-20100087351-A1 Perfumes for Linear Citrus Release in Rinse-Off Systems QUEST INTERNATIONAL SERVICES B.V. (NL) 2010-04-08 US disclosed
US-7538149-B2 Ink composition, inkjet recording method, printed material, process for producing lithographic printing plate, and lithographic printing plate FUJIFILM CORPORATION (JP) 2009-05-26 US disclosed
US-20080176781-A1 Perfumes for linear citrus release in rinse-off systems QUEST INTERNATIONAL SERVICES B.V. (NL) 2008-07-24 US disclosed
US-20060258776-A1 Ink composition, inkjet recording method, printed material, process for producing lithographic printing plate, and lithographic printing plate FUJI PHOTO FILM CO., LTD. 2006-11-16 US disclosed
EP-1721943-A1 Ink composition, inkjet recording method, printed material, process for producing lithographic printing plate, and lithographic printing plate FUJI PHOTO FILM CO., LTD. (JP) 2006-11-15 EP disclosed
EP-1707185-A1 Solvent materials and methods for preparing fragrance compositions INTERNATIONAL FLAVORS & FRAGRANCES, INC. (US) 2006-10-04 EP disclosed
WO-2000027197-A1 A COMPOSITION CONTAINING AN INSECT REPELLENT ACTIVE BLEND THE PROCTER & GAMBLE COMPANY (US) 2000-05-18 WO disclosed