⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL497286 | 0.80 | LAP3 (0.39) | — | |
| SCHEMBL485995 | 0.80 | — | — | |
| SCHEMBL5850877 | 0.79 | FDPS (0.47) | — | |
| SCHEMBL777741 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL6047705 | 0.78 | SMPD1 (0.42) | — | |
| SCHEMBL2185946 | 0.78 | LAP3 (0.37) | — | |
| SCHEMBL27505457 | 0.78 | SMPD1 (0.42) | — | |
| SCHEMBL9259903 | 0.78 | — | — | |
| SCHEMBL10755198 | 0.77 | LAP3 (0.33) | — | |
| SCHEMBL5665071 | 0.77 | LAP3 (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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0842177-A1 | PROCESS FOR THE MANUFACTURE OF 1-SUBSTITUTED-4-FLUORO-1,4-DIAZONIABICYCLO[2.2.2]OCTANE SALTS | AlliedSignal Inc. (US) | 1998-05-20 | — | — | EP | claimed |
| WO-1997042193-A1 | PROCESS FOR THE MANUFACTURE OF 1-SUBSTITUTED-4-FLUORO-1,4-DIAZONIABICYCLO[2.2.2]OCTANE SALTS | ALLIEDSIGNAL INC. (US) | 1997-11-13 | — | — | WO | claimed |
| US-5631372-A | Process for the manufacture of 1-substituted-4-fluoro-1,4-diazoniabicyclo[2.] octane salts | ALLIEDSIGNAL INC. (US) | 1997-05-20 | — | — | US | claimed |
| EP-0842177-A1 | PROCESS FOR THE MANUFACTURE OF 1-SUBSTITUTED-4-FLUORO-1,4-DIAZONIABICYCLO[2.2.2]OCTANE SALTS | AlliedSignal Inc. (US) | 1998-05-20 | — | — | EP | disclosed |
| WO-1997042193-A1 | PROCESS FOR THE MANUFACTURE OF 1-SUBSTITUTED-4-FLUORO-1,4-DIAZONIABICYCLO[2.2.2]OCTANE SALTS | ALLIEDSIGNAL INC. (US) | 1997-11-13 | — | — | WO | disclosed |
| US-5631372-A | Process for the manufacture of 1-substituted-4-fluoro-1,4-diazoniabicyclo[2.] octane salts | ALLIEDSIGNAL INC. (US) | 1997-05-20 | — | — | US | disclosed |