⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Ethyl Acetate SCHEMBL28544458 | 0.97 | — | — | |
| Ethyl Acetate SCHEMBL29286783 | 0.97 | — | — | |
| Ethyl Acetate SCHEMBL10425677 | 0.97 | ALDH1A1 (0.88) | — | |
| Ethyl Acetate SCHEMBL28330467 | 0.97 | ALDH1A1 (0.88) | — | |
| Ethyl Acetate SCHEMBL30152067 | 0.97 | — | — | |
| Ethyl Acetate SCHEMBL28615209 | 0.97 | ALDH1A1 (1.00) | — | |
| Ethyl Acetate SCHEMBL28457765 | 0.97 | ALDH1A1 (1.00) | — | |
| Ethyl Acetate SCHEMBL70316 | 0.97 | ALDH1A1 (1.00) | — | |
| Ethyl Acetate SCHEMBL1330811 | 0.97 | — | — | |
| Ethyl Acetate SCHEMBL8506185 | 0.97 | ALDH1A1 (1.00) | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102153463-A | 4-subsititued 3,5-dihydroxy carboxylic acid compound and preparation method thereof | SHANGHAI INST TECHNOLOGY | 2011-08-17 | — | — | CN | claimed |
| CN-102086184-A | 5-fluorine-substituted 4-hydroxyl-3,4,5,6-tetrahydro-2H-pyrane-2-ketone compound and preparation method thereof | SHANGHAI INST TECHNOLOGY | 2011-06-08 | — | — | CN | claimed |
| CN-109803968-A | Pyridopyrimidinone CDK2/4/6 inhibitor | 辉瑞公司 | 2019-05-24 | — | — | CN | disclosed |
| CN-108218702-A | The preparation method of 2- acetyl fluoride ethyl acetate | 湖北卓熙氟化股份有限公司 | 2018-06-29 | — | — | CN | disclosed |
| CN-106995370-A | Preparation method of fluoroacetic acid for court science qualitative and quantitative use | 公安部物证鉴定中心 | 2017-08-01 | — | — | CN | disclosed |
| CN-102153463-A | 4-subsititued 3,5-dihydroxy carboxylic acid compound and preparation method thereof | SHANGHAI INST TECHNOLOGY | 2011-08-17 | — | — | CN | disclosed |
| CN-102086184-A | 5-fluorine-substituted 4-hydroxyl-3,4,5,6-tetrahydro-2H-pyrane-2-ketone compound and preparation method thereof | SHANGHAI INST TECHNOLOGY | 2011-06-08 | — | — | CN | disclosed |
| CN-102066375-A | New trinem antibiotics and inhibitors of beta-lactamases | LEK PHARMACEUTICALS | 2011-05-18 | — | — | CN | disclosed |
| CN-101090892-A | Sulfonamide derivatives, process for their preparation and their therapeutic use | SANOFI AVENTIS (FR) | 2007-12-19 | — | — | CN | disclosed |
| CN-1926127-A | Novel 2-heteroaryl substituted benzimidazole derivatives | BANYU PHARMA CO LTD (JP) | 2007-03-07 | — | — | CN | disclosed |
| CN-1205927-C | Water soluble trioxanes as potent and safe anti-malarial agents | JOHNS HOPKING UNIV (US) | 2005-06-15 | — | — | CN | disclosed |
| CN-1101815-C | 3 -amidochromanylsulfonyl (thio) ureas, processes for their preparation, their use, and pharmaceutical preparations comprising them | HOECHST AG (DE) | 2003-02-19 | — | — | CN | disclosed |
| CN-1365278-A | Water soluble trioxanes as potent and safe anti-malarial agents | JOHNS HOPKINGS UNIV (US) | 2002-08-21 | — | — | CN | disclosed |
| CN-1182741-A | 3 -amidochromanylsulfonyl (thio) ureas, processes for their preparation, their use, and pharmaceutical preparations comprising them | HOECHST AG (DE) | 1998-05-27 | — | — | CN | disclosed |
| CN-85101149-A | The preparation method of N-acyl group-hydroxyl and N-acyl group-acyloxy aromatic amine | — | 1987-01-17 | — | — | CN | disclosed |