⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1947185 | 0.96 | — | — | |
| SCHEMBL23253901 | 0.96 | — | — | |
| SCHEMBL17652515 | 0.96 | — | — | |
| SCHEMBL56633 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL5241311 | 0.93 | CCR5 (0.35) | — | |
| Nitric Oxide SCHEMBL5965613 | 0.87 | CCR5 (0.32) | — | |
| SCHEMBL1449497 | 0.83 | CCR5 (0.33) | — | |
| SCHEMBL23505391 | 0.83 | — | — | |
| SCHEMBL702038 | 0.83 | — | — | |
| SCHEMBL8273900 | 0.81 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040023971-A1 | 3,8-Diazabicyclo[3.2.1]octanes and their use in the treatment of cardiac arrhythmias | ASTRAZENECA AB (SE) | 2004-02-05 | — | — | US | claimed |
| US-7012074-B2 | 3,8-Diazabicyclo[3.2.1]octanes and their use in the treatment of cardiac arrhythmias | ASTRAZENECA AB (SE) | 2006-03-14 | — | — | US | disclosed |
| US-20040023971-A1 | 3,8-Diazabicyclo[3.2.1]octanes and their use in the treatment of cardiac arrhythmias | ASTRAZENECA AB (SE) | 2004-02-05 | — | — | US | disclosed |