⚠ 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 | |
|---|---|---|---|---|
| Ethane SCHEMBL28639609 | 0.89 | FFAR3 (0.46) | — | |
| Methyl Alcohol SCHEMBL28085279 | 0.89 | — | — | |
| Ethane SCHEMBL15352770 | 0.89 | — | — | |
| SCHEMBL78716 | 0.88 | CA1 (0.50) | — | |
| SCHEMBL9181149 | 0.88 | — | — | |
| SCHEMBL1781916 | 0.88 | — | — | |
| SCHEMBL815 | 0.88 | — | — | |
| Tert-Butanol SCHEMBL28752991 | 0.87 | — | — | |
| Trichloroethane SCHEMBL4834184 | 0.87 | — | — | |
| SCHEMBL3414569 | 0.84 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110234636-A | Composition comprising methylphenidate prodrug, method of manufacture and use thereof | 坎普哈姆公司 | 2019-09-13 | — | — | CN | disclosed |
| CN-108473519-A | Annular phosphate and Cyclic phosphoramidates for treating neurological disease | 雷特罗芬公司 | 2018-08-31 | — | — | CN | disclosed |
| CN-207632730-U | A kind of chloromethyl butylperoxyisopropyl carbonate continuous reacting device | 内蒙古圣氏化学股份有限公司 | 2018-07-20 | — | — | CN | disclosed |
| CN-107805202-A | A kind of chloromethyl butylperoxyisopropyl carbonate continuous reacting device and method | 内蒙古圣氏化学股份有限公司 | 2018-03-16 | — | — | CN | disclosed |
| CN-106349222-A | Crizotinib prodrug as well as preparation method and use thereof | 东南大学 | 2017-01-25 | — | — | CN | disclosed |
| CN-102365286-B | Process for preparing dialkyl carbonates of dianhydrohexitols | 罗盖特公司 | 2016-11-09 | — | — | CN | disclosed |
| CN-103373986-B | Crizotinib prodrug and preparation method and application thereof | 东南大学 | 2016-10-05 | — | — | CN | disclosed |