⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23771320 | 0.84 | — | — | |
| SCHEMBL23771367 | 0.83 | — | — | |
| SCHEMBL22695445 | 0.69 | NR3C2 (0.39) | — | |
| SCHEMBL21334405 | 0.68 | MAP4K1 (0.46) | — | |
| SCHEMBL22695460 | 0.66 | MAP4K1 (0.39) | — | |
| SCHEMBL22695463 | 0.65 | ALPL (0.32) | — | |
| SCHEMBL22695461 | 0.64 | — | — | |
| SCHEMBL4967231 | 0.63 | CA1 (0.39) | — | |
| SCHEMBL22695469 | 0.62 | NTRK1 (0.31) | — | |
| SCHEMBL22695468 | 0.62 | MAP4K1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20210277024-A1 | NAPHTHYRIDINE COMPOUNDS AND USES THEREOF | GENENTECH, INC. (US) | 2021-09-09 | — | — | US | disclosed |