⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26601604 | 0.87 | — | — | |
| SCHEMBL26601710 | 0.86 | — | — | |
| SCHEMBL26601568 | 0.84 | MAPK1 (0.34) | — | |
| SCHEMBL26699083 | 0.84 | — | — | |
| SCHEMBL26601571 | 0.82 | — | — | |
| SCHEMBL26601575 | 0.82 | — | — | |
| SCHEMBL26701304 | 0.82 | — | — | |
| SCHEMBL26601569 | 0.82 | — | — | |
| SCHEMBL26699086 | 0.78 | GRIN2D (0.30) | — | |
| SCHEMBL26601851 | 0.77 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20250388541-A1 | HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2025-12-25 | — | — | US | disclosed |
| WO-2023205465-A1 | HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2023-10-26 | — | — | WO | disclosed |
| WO-2023205465-A1 | HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2023-10-26 | — | — | WO | disclosed |