⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23770779 | 0.85 | HRH3 (0.36) | — | |
| SCHEMBL23770859 | 0.83 | CYP1A2 (0.44) | — | |
| SCHEMBL23770433 | 0.83 | PDE10A (0.36) | — | |
| SCHEMBL19925106 | 0.83 | SCN9A (0.34) | — | |
| SCHEMBL19928739 | 0.83 | SCN9A (0.34) | — | |
| SCHEMBL23770725 | 0.82 | CYP1A2 (0.37) | — | |
| SCHEMBL23770753 | 0.82 | GRIN2B (0.36) | — | |
| SCHEMBL23770658 | 0.82 | CTSS (0.31) | — | |
| SCHEMBL23770664 | 0.82 | NPY5R (0.36) | — | |
| SCHEMBL23770673 | 0.82 | HRH4 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3504194-B1 | N-(PYRIDIN-2-YL)PYRIDINE-SULFONAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE | NOVARTIS AG (CH) | 2021-08-18 | — | — | EP | disclosed |