⚠ 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 | |
|---|---|---|---|---|
| Acetic Acid Methyl Ester SCHEMBL28190148 | 0.97 | ALDH1A1 (0.67) | — | |
| Acetic Acid Methyl Ester SCHEMBL5451383 | 0.90 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL28413948 | 0.89 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL7122055 | 0.89 | ALDH1A1 (0.91) | — | |
| Acetic Acid Methyl Ester SCHEMBL2414220 | 0.89 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL28918827 | 0.87 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL27965098 | 0.85 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL9688974 | 0.85 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL2047402 | 0.85 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL28052012 | 0.85 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109804487-A | The electrolyte comprising additive for high-energy rechargeable metal anode battery | 派立昂技术公司 | 2019-05-24 | — | — | CN | claimed |
| CN-110063960-A | 3- hydrogenates the pharmaceutical applications of loose Siberian cocklebur acid B cyanogen methyl esters | 三峡大学 | 2019-07-30 | — | — | CN | disclosed |
| CN-109679000-A | Manufacture ethene polymers and the method using modifying agent | 埃克森美孚化学专利公司 | 2019-04-26 | — | — | CN | disclosed |
| CN-109293565-A | A kind of preparation method of fluopyram | 江苏七洲绿色化工股份有限公司 | 2019-02-01 | — | — | CN | disclosed |
| CN-106032370-B | A kind of preparation method of ring-type (1,3)-dithiolan derivatives object | 华东师范大学 | 2018-10-12 | — | — | CN | disclosed |
| CN-104871343-B | Separator, electrode element, electrical energy storage device and method for producing a separator | 日本电气株式会社 | 2018-06-15 | — | — | CN | disclosed |
| CN-106083787-B | A kind of synthetic method of 4- (2- aminoethyls) oxinane | 济南川成医药科技开发有限公司 | 2018-05-04 | — | — | CN | disclosed |
| CN-107949582-A | Cooling of high pressure polyethylene products | 埃克森美孚化学专利公司 | 2018-04-20 | — | — | CN | disclosed |
| CN-106574003-A | Process for making ethylene polymers and using modifiers | 埃克森美孚化学专利公司 | 2017-04-19 | — | — | CN | disclosed |