⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7411843 | 0.84 | — | — | |
| SCHEMBL7415318 | 0.76 | — | — | |
| SCHEMBL2694041 | 0.71 | — | — | |
| SCHEMBL678774 | 0.69 | — | — | |
| SCHEMBL7470215 | 0.68 | — | — | |
| SCHEMBL7422557 | 0.67 | CYP2C9 (0.36) | — | |
| SCHEMBL12457774 | 0.65 | — | — | |
| SCHEMBL12524534 | 0.62 | — | — | |
| SCHEMBL906308 | 0.61 | HSD11B1 (0.44) | — | |
| SCHEMBL15955910 | 0.61 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0674639-B1 | AZANORADAMANTANES | SEARLE & CO (US) | 1998-01-14 | — | — | EP | disclosed |
| EP-0674639-A1 | AZANORADAMANTANES | G.D. SEARLE & CO. (US) | 1995-10-04 | — | — | EP | disclosed |
| US-5446049-A | Gastrointestinal disorders, central nervous system disorders | G. D. SEARLE & CO. (US) | 1995-08-29 | — | — | US | disclosed |
| US-5354757-A | Serottonin antagonists | G. D. SEARLE & CO. (US) | 1994-10-11 | — | — | US | disclosed |
| WO-1994013667-A1 | AZANORADAMANTANES | G.D. SEARLE & CO. (US) | 1994-06-23 | — | — | WO | disclosed |