⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31065790 | 0.93 | PLD3 (0.30) | — | |
| SCHEMBL31065809 | 0.81 | PLD3 (0.32) | — | |
| SCHEMBL31065778 | 0.79 | MEN1 (0.32) | — | |
| SCHEMBL31065799 | 0.79 | MEN1 (0.32) | — | |
| SCHEMBL31065780 | 0.78 | PLD3 (0.32) | — | |
| SCHEMBL31065783 | 0.78 | PLD3 (0.32) | — | |
| SCHEMBL31065775 | 0.78 | PLD3 (0.32) | — | |
| SCHEMBL31065766 | 0.77 | AURKA (0.32) | — | |
| SCHEMBL31065787 | 0.75 | MEN1 (0.35) | — | |
| SCHEMBL31065763 | 0.75 | USP30 (0.47) | — |
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-2024131942-A1 | CYCLOPROPANE TLR7 AND TLR8 INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF | 上海深势唯思科技有限责任公司 | 2024-06-27 | — | — | WO | disclosed |