⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25339293 | 0.79 | CXCR4 (0.34) | — | |
| SCHEMBL24535898 | 0.79 | — | — | |
| SCHEMBL30793843 | 0.76 | — | — | |
| SCHEMBL31323678 | 0.70 | RAB9A (0.35) | — | |
| SCHEMBL24535293 | 0.70 | — | — | |
| SCHEMBL30793718 | 0.70 | PDE4A (0.36) | — | |
| SCHEMBL16682637 | 0.68 | THRB (0.52) | — | |
| SCHEMBL30793411 | 0.68 | PDE4A (0.40) | — | |
| SCHEMBL30793799 | 0.66 | PDCD1 (0.35) | — | |
| SCHEMBL31460354 | 0.65 | — | — |
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-20250368649-A1 | TETRAHYDROPYRIDOPYRIMIDINE PAN-KRAS INHIBITORS | MIRATI THERAPEUTICS INC (US) | 2025-12-04 | — | — | US | disclosed |