⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23758072 | 0.50 | — | — | |
| SCHEMBL75323 | 0.48 | — | — | |
| SCHEMBL22091 | 0.48 | — | — | |
| Iodide SCHEMBL11779085 | 0.44 | — | — | |
| Dimethylamine SCHEMBL9751033 | 0.44 | — | — | |
| Hydrochloric Acid SCHEMBL8529934 | 0.44 | KDM4E (1.00) | — | |
| Hydrochloric Acid SCHEMBL743762 | 0.44 | — | — | |
| Dimethylamine SCHEMBL11209941 | 0.44 | — | — | |
| Dimethylamine SCHEMBL19253874 | 0.44 | — | — | |
| Hydrochloric Acid SCHEMBL9118581 | 0.44 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-3519411-B1 | HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS | MUTABILIS (FR) | 2022-06-22 | — | — | EP | disclosed |