⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27822147 | 0.65 | — | — | |
| SCHEMBL4760477 | 0.65 | — | — | |
| SCHEMBL216232 | 0.60 | — | — | |
| SCHEMBL2050516 | 0.59 | — | — | |
| SCHEMBL2046851 | 0.59 | — | — | |
| SCHEMBL2046847 | 0.59 | — | — | |
| SCHEMBL28739744 | 0.58 | — | — | |
| SCHEMBL12945297 | 0.58 | — | — | |
| SCHEMBL28968700 | 0.58 | — | — | |
| SCHEMBL2222762 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4127044-A1 | CYCLOHEXANOL-CAPPED COMPOUNDS AND THEIR USE AS PLASTICIZERS | BASF SE (DE) | 2023-02-08 | — | — | EP | disclosed |
| WO-2021190968-A1 | CYCLOHEXANOL-CAPPED COMPOUNDS AND THEIR USE AS PLASTICIZERS | BASF SE (DE) | 2021-09-30 | — | — | WO | disclosed |
| CN-111554832-A | Composition for forming organic light emitting device and method for preparing organic light emitting device | 三星显示有限公司 | 2020-08-18 | — | — | CN | disclosed |
| CN-105327367-B | Imaging agent, preparation method and application | 国家纳米科学中心 | 2019-12-13 | — | — | CN | disclosed |
| CN-110382509-A | Bis-silylaminosilyl-functionalized conjugated dienes and their use in the manufacture of rubber | 西索斯卓里第七公司 | 2019-10-25 | — | — | CN | disclosed |