⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31747928 | 1.00 | — | — | |
| SCHEMBL31747969 | 1.00 | — | — | |
| SCHEMBL26601580 | 0.91 | MAPK1 (0.33) | — | |
| SCHEMBL26601575 | 0.85 | — | — | |
| SCHEMBL26601571 | 0.85 | — | — | |
| SCHEMBL26601569 | 0.85 | — | — | |
| SCHEMBL30624589 | 0.80 | SCN9A (0.30) | — | |
| SCHEMBL31747808 | 0.80 | SCN9A (0.30) | — | |
| SCHEMBL26698083 | 0.80 | SCN9A (0.30) | — | |
| SCHEMBL26601787 | 0.80 | SCN9A (0.30) | — |
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-20250388541-A1 | HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2025-12-25 | — | — | US | disclosed |