⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24073181 | 1.00 | — | — | |
| SCHEMBL14218506 | 1.00 | — | — | |
| SCHEMBL21341280 | 0.88 | SLC6A1 (0.59) | — | |
| SCHEMBL10067944 | 0.88 | SLC6A1 (0.59) | — | |
| SCHEMBL16856684 | 0.88 | SLC6A1 (0.59) | — | |
| SCHEMBL2409709 | 0.86 | GABRA1 (0.52) | — | |
| SCHEMBL16359913 | 0.86 | SLC6A1 (0.52) | — | |
| SCHEMBL13895436 | 0.81 | — | — | |
| SCHEMBL27840525 | 0.81 | GABRP (0.46) | — | |
| SCHEMBL4630766 | 0.80 | — | — |
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 |