⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29064622 | 0.92 | PTPN1 (0.35) | — | |
| SCHEMBL27837680 | 0.90 | PTPN1 (0.38) | — | |
| SCHEMBL27997831 | 0.83 | — | — | |
| SCHEMBL570971 | 0.83 | — | — | |
| SCHEMBL1139637 | 0.79 | — | — | |
| SCHEMBL748011 | 0.79 | — | — | |
| SCHEMBL5179426 | 0.77 | — | — | |
| SCHEMBL17373193 | 0.77 | — | — | |
| SCHEMBL28202356 | 0.77 | — | — | |
| SCHEMBL758285 | 0.76 | THRB (0.44) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116635441-A | Polyacetal copolymer and process for producing the same | 宝理塑料株式会社 | 2023-08-22 | — | — | CN | disclosed |
| CN-111566078-B | Comprising selective removal of Cu from butynediol starting material ++ Ionic improved process for the production of butanediol | 科氏技术英国有限公司 | 2023-02-14 | — | — | CN | disclosed |
| CN-113262794-B | Supported nickel catalyst, preparation method and application in hydrogenation reaction of 1, 4-butynediol | 上海迅凯新材料科技有限公司 | 2022-12-27 | — | — | CN | disclosed |
| CN-111566078-A | Comprising selective removal of Cu from butynediol starting material++Ionic improved process for the production of butanediol | 英威达纺织（英国）有限公司 | 2020-08-21 | — | — | CN | disclosed |
| CN-105622338-A | Method, process and apparatus for separation of ethylene glycol and 1,2-butanediol | UNIV TIANJIN | 2016-06-01 | — | — | CN | disclosed |