⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22697046 | 0.77 | NOS3 (0.31) | — | |
| SCHEMBL26491879 | 0.68 | TLR8 (0.37) | — | |
| SCHEMBL19851801 | 0.67 | NOS3 (0.31) | — | |
| SCHEMBL8986715 | 0.66 | — | — | |
| SCHEMBL23263703 | 0.65 | — | — | |
| SCHEMBL18899475 | 0.65 | S1PR2 (0.41) | — | |
| SCHEMBL8263363 | 0.64 | S1PR2 (0.35) | — | |
| SCHEMBL26491201 | 0.62 | — | — | |
| SCHEMBL5009778 | 0.62 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL19936895 | 0.62 | HTR1A (0.39) | — |
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 |