⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL873172 | 0.74 | — | — | |
| Water SCHEMBL28861741 | 0.70 | SMN1; SMN2 (0.43) | — | |
| SCHEMBL872168 | 0.69 | — | — | |
| SCHEMBL31345499 | 0.65 | — | — | |
| SCHEMBL29829521 | 0.65 | SMN1; SMN2 (0.43) | — | |
| SCHEMBL5409730 | 0.62 | ALDH1A1 (0.32) | — | |
| SCHEMBL459723 | 0.62 | — | — | |
| SCHEMBL28915190 | 0.62 | — | — | |
| SCHEMBL647137 | 0.62 | CTSK (0.36) | — | |
| SCHEMBL23809725 | 0.61 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024251282-A1 | PENTACYCLIC DERIVATIVE INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 上海翰森生物医药科技有限公司 | 2024-12-12 | — | — | WO | disclosed |