Acetic Acid Methyl Ester

Acetic Acid Methyl Ester

SCHEMBL2425227

CC1CCCC(C)C1.COC(C)=O

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
CHRM2 P08172 6/20 0.36
CHRM4 P08173 3/20 0.36
CHRM3 P20309 3/20 0.36
CHRM1 P11229 3/20 0.36
KDM4E B2RXH2 1/20 0.35
TLR4 O00206 1/20 0.35
EPHX1 P07099 3/20 0.33
AAK1 Q2M2I8 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 2/20 0.32
MEN1 O00255 1/20 0.31
CYP2D6 P10635 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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 SCHEMBL29290138 0.87 ALDH1A1 (0.40) ALDH1A1CHRM2CHRM4CHRM3CHRM1
Acetic Acid Methyl Ester SCHEMBL27503281 0.83 ALDH1A1 (0.50) ALDH1A1KDM4EEPHX1NPSR1
Acetic Acid SCHEMBL8007075 0.80 FFAR3 (0.37) ALDH1A1CHRM2CHRM4CHRM3CHRM1
SCHEMBL27801823 0.79 ALDH1A1 (0.38) ALDH1A1KDM4ETLR4EPHX1AAK1
Acetic Acid Methyl Ester SCHEMBL4957651 0.77 ALDH1A1 (0.43) ALDH1A1TLR4EPHX1TSHR
Methyl Alcohol SCHEMBL295188 0.76 CYP2C9 (0.35) TSHR
Acetone SCHEMBL594272 0.76
SCHEMBL23030332 0.76 RAB9A (0.41) CHRM2CHRM4CHRM3CHRM1EPHX1
SCHEMBL20329790 0.76 SMN1; SMN2 (0.44) ALDH1A1CHRM2CHRM4CHRM3AAK1
SCHEMBL14438966 0.76 SMN1; SMN2 (0.44) ALDH1A1CHRM2CHRM4CHRM3AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024068235-A1 BIODEGRADABLE MICROCAPSULES AND METHOD FOR THEIR PREPARATION XAMPLA LIMITED (GB) 2024-04-04 WO disclosed
WO-2024068234-A1 BIODEGRADABLE MICROCAPSULES AND A METHOD FOR THEIR PREPARATION XAMPLA LIMITED (GB) 2024-04-04 WO disclosed
CN-113244117-B Compositions providing delayed release of active substances 诺赛尔股份有限公司 2023-10-20 CN disclosed
WO-2023170156-A1 BIODEGRADABLE MICROCAPSULES AND A METHOD FOR THEIR PREPARATION XAMPLA LIMITED (GB) 2023-09-14 WO disclosed
WO-2023170176-A1 EMULSIONS AND A METHOD FOR THEIR PREPARATION XAMPLA LIMITED (GB) 2023-09-14 WO disclosed
WO-2023170158-A1 BIODEGRADABLE MICROCAPSULES AND METHOD FOR THEIR PREPARATION XAMPLA LIMITED (GB) 2023-09-14 WO disclosed
EP-3888782-A1 COATED MICROCAPSULES Noxell Corporation (US) 2021-10-06 EP disclosed
EP-3233200-B1 COMPOSITIONS PROVIDING DELAYED RELEASE OF ACTIVES NOXELL CORP (US) 2021-09-29 EP disclosed
CN-113244117-A Composition providing delayed release of active substances 诺赛尔股份有限公司 2021-08-13 CN disclosed
CN-107107019-B Coated microcapsules 诺赛尔股份有限公司 2021-06-18 CN disclosed
US-20150352578-A1 Flushing Dispensers For Delivering A Consistent Consumer Experience THE PROCTER & GAMBLE COMPANY 2015-12-10 US disclosed
US-20150353867-A1 Articles Providing Long Lasting Fragrances THE PROCTER & GAMBLE COMPANY 2015-12-10 US disclosed
US-20150352575-A1 Articles Providing Long Lasting Fragrances THE PROCTER & GAMBLE COMPANY 2015-12-10 US disclosed
US-20150351519-A1 Articles Providing Long Lasting Fragrances THE PROCTER & GAMBLE COMPANY 2015-12-10 US disclosed
EP-2366014-B1 PERFUME SYSTEMS PROCTER & GAMBLE (US) 2015-11-04 EP disclosed
US-8754028-B2 Perfume systems THE PROCTER & GAMBLE COMPANY (US) 2014-06-17 US disclosed
EP-2366014-A2 PERFUME SYSTEMS The Procter & Gamble Company (US) 2011-09-21 EP disclosed
US-20100152083-A1 Perfume Systems PROCTER & GAMBLE COMPANY, THE 2010-06-17 US disclosed
WO-2009027957-A2 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY (US) 2009-03-05 WO disclosed
EP-0994177-A2 Multifunctional and/or multi-aroma imparting, multisectional, multiwick candles; kits for preparing same; processes for preparing same and processes for using same INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2000-04-19 EP disclosed