⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24752718 | 0.71 | CYP3A4 (0.33) | — | |
| SCHEMBL22595265 | 0.70 | KCNA2 (0.34) | — | |
| SCHEMBL25033146 | 0.69 | — | — | |
| SCHEMBL25032069 | 0.69 | IDO1 (0.36) | — | |
| SCHEMBL5417588 | 0.67 | KDM4E (0.30) | — | |
| SCHEMBL17774720 | 0.67 | IDO1 (0.45) | — | |
| SCHEMBL31364787 | 0.67 | NR4A2 (0.35) | — | |
| SCHEMBL7064960 | 0.67 | IDO1 (0.50) | — | |
| SCHEMBL31304836 | 0.66 | NPC1 (0.34) | — | |
| SCHEMBL24752719 | 0.66 | KDM4E (0.41) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240400591-A1 | COMPOUNDS TARGETING MUTANT OF P53 | JACOBIO PHARMACEUTICALS CO., LTD. (CN) | 2024-12-05 | — | — | US | disclosed |
| WO-2023016434-A1 | COMPOUNDS TARGETING MUTANT OF P53 | JACOBIO PHARMACEUTICALS CO., LTD. (CN) | 2023-02-16 | — | — | WO | disclosed |