⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL637645 | 0.97 | — | — | |
| SCHEMBL28292916 | 0.94 | — | — | |
| SCHEMBL1709336 | 0.77 | — | — | |
| SCHEMBL1709289 | 0.77 | — | — | |
| SCHEMBL268198 | 0.77 | — | — | |
| SCHEMBL7030509 | 0.77 | — | — | |
| SCHEMBL11128512 | 0.77 | TDP1 (0.37) | — | |
| SCHEMBL2014353 | 0.72 | — | — | |
| SCHEMBL268557 | 0.72 | — | — | |
| SCHEMBL128903 | 0.72 | — | — |
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-117903012-A | Preparation method of mesylate product | 河北圣泰材料股份有限公司 | 2024-04-19 | — | — | CN | claimed |
| CN-108641019-B | Rosin-based thiolated polyvinyl chloride comb polymer and preparation method and application thereof | 中国林业科学研究院林产化学工业研究所 | 2020-02-18 | — | — | CN | claimed |
| CN-117903012-A | Preparation method of mesylate product | 河北圣泰材料股份有限公司 | 2024-04-19 | — | — | CN | disclosed |
| CN-108641019-B | Rosin-based thiolated polyvinyl chloride comb polymer and preparation method and application thereof | 中国林业科学研究院林产化学工业研究所 | 2020-02-18 | — | — | CN | disclosed |
| CN-106187709-B | A kind of preparation method of 1- hydroxyl pyrene | 上海引盛生物科技有限公司 | 2019-10-11 | — | — | CN | disclosed |
| CN-109734593-A | A kind of preparation method of 3- propoxyl group propyl propionate | 韶关市合众化工有限公司 | 2019-05-10 | — | — | CN | disclosed |
| CN-106187709-A | A kind of preparation method of 1 hydroxyl pyrene | 江苏晶化天成新材料科技有限公司 | 2016-12-07 | — | — | CN | disclosed |