Acetic Acid Methyl Ester

Acetic Acid Methyl Ester

SCHEMBL27352057

COC(C)=O.Clc1cccc(-c2ccccc2)c1Cl

nearest known ligand 0.51

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 2/20 0.51
▸ CYP2A6 P11509 1/20 0.47
▸ SLC6A3 Q01959 2/20 0.46
▸ BCL2L1 Q07817 1/20 0.45
▸ MCL1 Q07820 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ LMNA P02545 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SLC6A4 P31645 1/20 0.44
▸ FABP4 P15090 3/20 0.44
▸ TSHR P16473 1/20 0.42
▸ BACE1 P56817 1/20 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 Methyl Ester SCHEMBL27877998 0.98 DHODH (0.50) DHODHCYP2A6SLC6A3BCL2L1MCL1
Acetic Acid SCHEMBL27614844 0.90 CYP2A6 (0.54) DHODHCYP2A6BCL2L1MCL1LMNA
Acetic Acid SCHEMBL27630446 0.88 CYP2A6 (0.52) DHODHCYP2A6BCL2L1MCL1LMNA
Acetic Acid SCHEMBL27431020 0.88 CYP2A6 (0.52) DHODHCYP2A6BCL2L1MCL1LMNA
Acetic Acid SCHEMBL27746609 0.88 CYP2A6 (0.52) DHODHCYP2A6BCL2L1MCL1LMNA
Acetic Acid SCHEMBL27942328 0.88 DHODH (0.55) DHODHCYP2A6BCL2L1MCL1LMNA
Acetic Acid SCHEMBL28224071 0.88 CYP2A6 (0.52) DHODHCYP2A6BCL2L1MCL1LMNA
Acetic Acid SCHEMBL28219393 0.88 CYP2A6 (0.52) DHODHCYP2A6BCL2L1MCL1LMNA
Acetic Acid SCHEMBL28851530 0.86 DHODH (0.50) DHODHCYP2A6BCL2L1MCL1LMNA
Acetic Acid SCHEMBL28849590 0.86 DHODH (0.50) DHODHCYP2A6BCL2L1MCL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101955427-A Method for separating methyl acetate and methanol water solution through multistage cross flow liquid-liquid extraction UNIV NANJING NORMAL 2011-01-26 — — CN claimed
CN-1298693-C Production of high purity ritalin from waste liquid or gas containing it UNIV TSINGHUA (CN) 2007-02-07 — — CN claimed
CN-1680267-A Production of high purity ritalin from waste liquid or gas containing it UNIV QINGHUA (CN) 2005-10-12 — — CN claimed
CN-209338421-U The preparation facilities of propylene glycol methyl ether acetate 临沂中天环保科技有限公司 2019-09-03 — — CN disclosed
CN-209322762-U A kind of synthesizer of Methoxvbenzofuran ketone 安徽广信农化股份有限公司 2019-08-30 — — CN disclosed
CN-106518619-B A kind of method of acetate preparation of ethanol through hydrogenation 中国科学院大连化学物理研究所 2019-07-02 — — CN disclosed
CN-208762430-U The anti-corrosive apparatus of methyl acetate hydrolysis and acetic acid refining during polyvinyl alcohol disposing mother liquor 天津大学 2019-04-19 — — CN disclosed
CN-109467499-A The anticorrosion process and device of methyl acetate hydrolysis and acetic acid refining during polyvinyl alcohol disposing mother liquor 天津大学 2019-03-15 — — CN disclosed
CN-109438239-A A kind of method of the controllable synthesis methyl acetate and acetic acid of Dimethyl ether carbonylation 西南化工研究设计院有限公司 2019-03-08 — — CN disclosed
CN-109265314-A The preparation method and preparation facilities of propylene glycol methyl ether acetate 临沂中天环保科技有限公司 2019-01-25 — — CN disclosed
CN-108707061-A A kind of technique that methanol is used for methyl acetate ethyl alcohol 太原理工大学 2018-10-26 — — CN disclosed
CN-1304358-C Method for preparing high pure methyl acetate through adsorption of liquid phase UNIV TSINGHUA (CN) 2007-03-14 — — CN disclosed
CN-1923785-A Method for recovering acetic acid in process for producing aromatic carboxylic acid HITACHI LTD (JP) 2007-03-07 — — CN disclosed
CN-1298693-C Production of high purity ritalin from waste liquid or gas containing it UNIV TSINGHUA (CN) 2007-02-07 — — CN disclosed
CN-1687002-A Method for preparing high pure methyl acetate through adsorption of liquid phase UNIV TSINGHUA (CN) 2005-10-26 — — CN disclosed
CN-1680267-A Production of high purity ritalin from waste liquid or gas containing it UNIV QINGHUA (CN) 2005-10-12 — — CN disclosed
CN-1185198-C Rhodium/inorganic iodide catalyst system for improving impurity distribution in methanol carbonylation process CELANESE INT CORP (US) 2005-01-19 — — CN disclosed
CN-1371352-A Rhodiunlinorganic iodide catalyst system for methanol carbonylation process with improved impurity profile CELANESE INT CORP (US) 2002-09-25 — — CN disclosed
CN-1333933-A Non-aqueous electrolyte for electrochemical cells MOLTECH CORP (US) 2002-01-30 — — CN disclosed
CN-1047329-C Multi dentate heterodesmic Rh catalyst and its prepn. method CHINESE ACAD INST CHEMISTRY (CN) 1999-12-15 — — CN disclosed
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