⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13292019 | 0.69 | — | — | |
| SCHEMBL299936 | 0.69 | — | — | |
| SCHEMBL22317589 | 0.68 | — | — | |
| SCHEMBL14877178 | 0.64 | — | — | |
| SCHEMBL2502461 | 0.64 | — | — | |
| SCHEMBL14367461 | 0.64 | — | — | |
| SCHEMBL15810999 | 0.60 | — | — | |
| SCHEMBL3766266 | 0.60 | — | — | |
| SCHEMBL1036866 | 0.57 | — | — | |
| SCHEMBL9712194 | 0.56 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2146722-A1 | ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZO-1,4-DIAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN | AMR Technology, Inc. (US) | 2010-01-27 | — | — | EP | disclosed |
| US-20090275099-A1 | Methods and compositions for treating diseases and conditions associated with mitochondrial function | REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2009-11-05 | — | — | US | disclosed |
| WO-2008141081-A1 | ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZO-1,4-DIAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN | AMR TECHNOLOGY, INC. (US) | 2008-11-20 | — | — | WO | disclosed |