⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31235130 | 0.92 | — | — | |
| SCHEMBL31235325 | 0.88 | — | — | |
| SCHEMBL31235277 | 0.88 | — | — | |
| SCHEMBL31234984 | 0.87 | KRAS (0.34) | — | |
| SCHEMBL31234997 | 0.86 | — | — | |
| SCHEMBL31235289 | 0.84 | — | — | |
| SCHEMBL31235339 | 0.84 | — | — | |
| SCHEMBL31235441 | 0.82 | — | — | |
| SCHEMBL31235297 | 0.82 | MAPK1 (0.30) | — | |
| SCHEMBL31235364 | 0.81 | HTT (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024243025-A1 | NAPHTHYL-SUBSTITUTED PYRIDO[4,3-D]PYRIMIDINES AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS | Ikena Oncology, Inc. (US) | 2024-11-28 | — | — | WO | disclosed |