⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4872672 | 0.76 | TRPV1 (0.30) | — | |
| SCHEMBL4864828 | 0.75 | MKNK1 (0.40) | — | |
| SCHEMBL5387471 | 0.73 | PIK3CD (0.38) | — | |
| Hydrochloric Acid SCHEMBL5752769 | 0.70 | EGFR (0.39) | — | |
| SCHEMBL1391792 | 0.69 | NFKB1 (0.33) | — | |
| SCHEMBL2500797 | 0.68 | — | — | |
| SCHEMBL1147539 | 0.68 | — | — | |
| SCHEMBL1012368 | 0.67 | CYP2D6 (0.42) | — | |
| SCHEMBL4868221 | 0.66 | HTR2A (0.48) | — | |
| SCHEMBL4000656 | 0.66 | — | — |
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-7312330-B2 | Bicycloheteroarylamine compounds as ion channel ligands and uses thereof | RENOVIS, INC. (US) | 2007-12-25 | — | — | US | disclosed |
| WO-2006118598-A1 | BICYCLOHETEROARYLAMINE COMPOUNDS AS ION CHANNEL LIGANDS AND USES THEREOF | RENOVIS, INC. (US) | 2006-11-09 | — | — | WO | disclosed |
| US-20050277643-A1 | Bicycloheteroarylamine compounds as ion channel ligands and uses thereof | EVOTEC AG (DE) | 2005-12-15 | — | — | US | disclosed |