⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30793500 | 0.86 | ALOX15 (0.32) | — | |
| SCHEMBL31739495 | 0.85 | HTR2C (0.33) | — | |
| SCHEMBL23852144 | 0.77 | BTK (0.35) | — | |
| SCHEMBL29373411 | 0.77 | HTR2A (0.36) | — | |
| SCHEMBL26058671 | 0.77 | PDE9A (0.37) | — | |
| Hydrochloric Acid SCHEMBL22406921 | 0.75 | PDE9A (0.37) | — | |
| SCHEMBL31126104 | 0.71 | PLK1 (0.42) | — | |
| SCHEMBL23852990 | 0.71 | S1PR1 (0.31) | — | |
| SCHEMBL23641905 | 0.68 | HSD11B1 (0.31) | — | |
| SCHEMBL22474050 | 0.68 | DRD2 (0.37) | — |
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 |