⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23640936 | 0.74 | — | — | |
| SCHEMBL14312257 | 0.72 | — | — | |
| SCHEMBL14258143 | 0.71 | — | — | |
| SCHEMBL13515525 | 0.67 | — | — | |
| SCHEMBL18386520 | 0.66 | — | — | |
| SCHEMBL12640810 | 0.66 | — | — | |
| SCHEMBL883548 | 0.66 | — | — | |
| SCHEMBL28269983 | 0.66 | — | — | |
| SCHEMBL24521734 | 0.65 | — | — | |
| SCHEMBL18431612 | 0.65 | — | — |
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-20230023559-A1 | ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS | D. E. SHAW RESEARCH, LLC (US) | 2023-01-26 | — | — | US | disclosed |