⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL37447 | 1.00 | — | — | |
| SCHEMBL24576137 | 1.00 | — | — | |
| Phosphine SCHEMBL27533497 | 1.00 | SSTR4 (0.47) | — | |
| SCHEMBL26103886 | 0.98 | SSTR4 (0.46) | — | |
| Hydrochloric Acid SCHEMBL20424376 | 0.98 | SSTR4 (0.46) | — | |
| Hydrochloric Acid SCHEMBL28247898 | 0.96 | SSTR4 (0.45) | — | |
| Bromide SCHEMBL28247896 | 0.96 | SSTR4 (0.45) | — | |
| Iodide SCHEMBL28247500 | 0.96 | SSTR4 (0.45) | — | |
| Ammonia Solution, Strong SCHEMBL28247308 | 0.91 | SSTR4 (0.42) | — | |
| Furan SCHEMBL27856005 | 0.88 | SSTR4 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022251561-A2 | SPIROINDOLINONE COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS | D.E. SHAW RESEARCH, LLC (US) | 2022-12-01 | — | — | WO | disclosed |