⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10906199 | 0.78 | CHRNB2 (0.33) | — | |
| SCHEMBL21441509 | 0.72 | SLC22A6 (0.38) | — | |
| SCHEMBL5892320 | 0.72 | SLC22A6 (0.38) | — | |
| SCHEMBL9749627 | 0.72 | SLC22A6 (0.38) | — | |
| SCHEMBL10906180 | 0.69 | GABRP (0.41) | — | |
| SCHEMBL31465281 | 0.68 | SLC22A6 (0.38) | — | |
| SCHEMBL10905414 | 0.66 | — | — | |
| SCHEMBL17772927 | 0.64 | SLC22A6 (0.43) | — | |
| SCHEMBL23222845 | 0.63 | SLC22A6 (0.38) | — | |
| SCHEMBL27953602 | 0.63 | SLC1A3 (0.33) | — |
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-4633014-A | ANTIARRHYTHMIA AGENTS | INSTITUT ORGANICHESKOGO SINTEZA AKADEMII NAUK LATVIISKOI SSR | 1986-12-30 | — | — | US | disclosed |