⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27249683 | 1.00 | — | — | |
| SCHEMBL27249600 | 0.87 | TLR7 (0.33) | — | |
| SCHEMBL30747789 | 0.87 | TLR7 (0.33) | — | |
| SCHEMBL30747788 | 0.83 | GDA (0.33) | — | |
| SCHEMBL27249496 | 0.83 | GDA (0.33) | — | |
| SCHEMBL30747729 | 0.81 | TLR7 (0.36) | — | |
| SCHEMBL27249660 | 0.81 | TLR7 (0.36) | — | |
| SCHEMBL15412191 | 0.80 | GDA (0.33) | — | |
| 2,6-Diaminopurine SCHEMBL5017251 | 0.72 | PDPK1 (0.42) | — | |
| SCHEMBL5066802 | 0.72 | ADORA1 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20250215032-A1 | PHOSPHORYLPURINONE COMPOUNDS FOR THE TREATMENT OF CANCER | HOFFMANN-LA ROCHE INC. (US) | 2025-07-03 | — | — | US | disclosed |
| EP-4554678-A1 | PHOSPHORYLPURINONE COMPOUNDS FOR THE TREATMENT OF CANCER | F. Hoffmann-La Roche AG (CH) | 2025-05-21 | — | — | EP | disclosed |
| WO-2024013205-A9 | PHOSPHORYLPURINONE COMPOUNDS FOR THE TREATMENT OF CANCER | F. HOFFMANN-LA ROCHE AG (CH) | 2025-04-10 | — | — | WO | disclosed |
| WO-2024013205-A1 | PHOSPHORYLPURINONE COMPOUNDS FOR THE TREATMENT OF CANCER | F. HOFFMANN-LA ROCHE AG (CH) | 2024-01-18 | — | — | WO | disclosed |