⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL310693 | 1.00 | — | — | |
| SCHEMBL1771381 | 1.00 | — | — | |
| SCHEMBL7457035 | 0.90 | ALDH1A1 (0.44) | — | |
| SCHEMBL95564 | 0.80 | — | — | |
| SCHEMBL23108652 | 0.76 | — | — | |
| SCHEMBL766666 | 0.76 | — | — | |
| SCHEMBL7521176 | 0.76 | — | — | |
| SCHEMBL7518983 | 0.76 | — | — | |
| SCHEMBL7518978 | 0.76 | — | — | |
| SCHEMBL24211928 | 0.76 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1680127-B1 | BENZAZEPINE DERIVATIVES AS MAO-B INHIBITORS | HOFFMANN LA ROCHE (CH) | 2008-10-15 | — | — | EP | disclosed |
| US-20070117791-A1 | Bicyclic compounds | JOLIDON SYNESE | 2007-05-24 | — | — | US | disclosed |
| US-7173023-B2 | Bicyclic compounds | HOFFMANN-LA ROCHE INC. (US) | 2007-02-06 | — | — | US | disclosed |
| EP-1680127-A1 | BENZAZEPINE DERIVATIVES AS MAO-B INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-07-19 | — | — | EP | disclosed |
| US-20050107360-A1 | Bicyclic compounds | HOFFMANN-LA ROCHE INC. | 2005-05-19 | — | — | US | disclosed |
| WO-2005039591-A1 | BENZAZEPINE DERIVATIVES AS MAO-B INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-05-06 | — | — | WO | disclosed |
| US-20020042055-A1 | Alteration of hydrolase genes and screening of the resulting libraries for the ability to catalyze specific reactions | MAXYGEN, INC. | 2002-04-11 | — | — | US | disclosed |
| WO-2001046476-A1 | ALTERATION OF HYDROLASE GENES AND SCREENING OF THE RESULTING LIBRARIES FOR THE ABILITY TO CATALYZE SPECIFIC REACTIONS | MAXYGEN, INC. (US) | 2001-06-28 | — | — | WO | disclosed |
| US-4639441-A | ANTIBACTERIAL PENICILLINS | SANKYO COMPANY LIMITED (JP) | 1987-01-27 | — | — | US | disclosed |