⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28508970 | 1.00 | — | — | |
| SCHEMBL28510242 | 0.84 | — | — | |
| SCHEMBL28514153 | 0.84 | — | — | |
| SCHEMBL28514145 | 0.81 | SQLE (0.50) | — | |
| SCHEMBL28510229 | 0.81 | SQLE (0.50) | — | |
| SCHEMBL10048642 | 0.78 | KMT2A (0.65) | — | |
| SCHEMBL4688217 | 0.77 | — | — | |
| SCHEMBL4688221 | 0.77 | — | — | |
| SCHEMBL28564122 | 0.77 | — | — | |
| SCHEMBL8998816 | 0.75 | MEN1 (0.50) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108530241-B | Preparation method of benzo ring derivative with benzyl quaternary carbon center | 武汉大学 | 2021-02-02 | — | — | CN | claimed |
| CN-116648241-A | Deuterated phenol derivative and preparation method and application thereof | 成都百裕制药股份有限公司 | 2023-08-25 | — | — | CN | disclosed |
| WO-2022218382-A1 | DEUTERATED PHENOL DERIVATIVES, PREPARATION METHOD THEREFOR, AND USE THEREOF | 成都百裕制药股份有限公司 | 2022-10-20 | — | — | WO | disclosed |
| EP-0410244-A1 | Leukotriene antagonists | BAYER AG (DE) | 1991-01-30 | — | — | EP | disclosed |