⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11002575 | 0.71 | — | — | |
| SCHEMBL21503630 | 0.71 | — | — | |
| SCHEMBL29044859 | 0.65 | KDM4E (0.31) | — | |
| SCHEMBL16200269 | 0.64 | POLB (0.35) | — | |
| SCHEMBL11061012 | 0.63 | CHEK1 (0.49) | — | |
| SCHEMBL29693655 | 0.62 | KDM4E (0.48) | — | |
| SCHEMBL2383543 | 0.62 | KDM4E (0.48) | — | |
| SCHEMBL21737395 | 0.62 | — | — | |
| SCHEMBL16856711 | 0.62 | — | — | |
| SCHEMBL21737009 | 0.62 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119823149-A | Tricyclic derivative inhibitor, preparation method and application thereof | 江苏豪森药业集团有限公司 | 2025-04-15 | — | — | CN | disclosed |
| US-20230312587-A1 | PTERIDINONE COMPOUNDS AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED | 2023-10-05 | — | — | US | disclosed |
| US-11572364-B2 | Pteridinone compounds and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2023-02-07 | — | — | US | disclosed |