⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4075433 | 0.82 | HTT (0.34) | — | |
| Hydrochloric Acid SCHEMBL4077835 | 0.82 | MAOB (0.33) | — | |
| SCHEMBL4427672 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL4077837 | 0.69 | — | — | |
| SCHEMBL4256336 | 0.69 | P2RX4 (0.33) | — | |
| SCHEMBL21098770 | 0.64 | MAOB (0.33) | — | |
| SCHEMBL23804141 | 0.64 | L3MBTL1 (0.35) | — | |
| SCHEMBL608160 | 0.63 | HTT (0.34) | — | |
| SCHEMBL3904518 | 0.63 | — | — | |
| SCHEMBL29073394 | 0.63 | MAOB (0.32) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2069317-A2 | 4-OXO-2,3,4,5-TETRAHYDRO-BENZO[B][1,4]DIAZEPINE DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2009-06-17 | — | — | EP | claimed |
| WO-2008034735-A2 | 4-OXO-2,3,4,5-TETRAHYDRO-BENZO[B][1,4]DIAZEPINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2008-03-27 | — | — | WO | claimed |
| EP-2069317-A2 | 4-OXO-2,3,4,5-TETRAHYDRO-BENZO[B][1,4]DIAZEPINE DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2009-06-17 | — | — | EP | disclosed |
| WO-2008034735-A2 | 4-OXO-2,3,4,5-TETRAHYDRO-BENZO[B][1,4]DIAZEPINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2008-03-27 | — | — | WO | disclosed |