⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13068694 | 0.76 | — | — | |
| SCHEMBL27257684 | 0.64 | — | — | |
| SCHEMBL4121904 | 0.60 | — | — | |
| SCHEMBL23505886 | 0.58 | — | — | |
| SCHEMBL22680429 | 0.55 | — | — | |
| SCHEMBL11676565 | 0.54 | — | — | |
| SCHEMBL23505894 | 0.52 | — | — | |
| SCHEMBL23505884 | 0.52 | — | — | |
| SCHEMBL9381561 | 0.52 | — | — | |
| Hydrochloric Acid SCHEMBL970524 | 0.50 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3826721-B1 | NAPHTHYRIDINE COMPOUNDS AND USES THEREOF | HOFFMANN LA ROCHE (CH) | 2023-10-11 | — | — | EP | disclosed |