⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL790354 | 0.81 | — | — | |
| SCHEMBL6289322 | 0.67 | — | — | |
| SCHEMBL669895 | 0.64 | — | — | |
| SCHEMBL157584 | 0.62 | — | — | |
| SCHEMBL744755 | 0.62 | — | — | |
| SCHEMBL25387585 | 0.60 | CYP1A2 (0.32) | — | |
| SCHEMBL17103406 | 0.59 | — | — | |
| SCHEMBL791036 | 0.59 | — | — | |
| SCHEMBL666642 | 0.59 | — | — | |
| SCHEMBL17103269 | 0.59 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2606049-A2 | 2,5-METHANO-AND 2,5-ETHANO-TETRAHYDROBENZAZEPINE DERIVATIVES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN | Albany Molecular Research, Inc. (US) | 2013-06-26 | — | — | EP | disclosed |
| WO-2012024397-A2 | 2,5-METHANO-AND 2,5-ETHANO-TETRAHYDROBENZAZEPINE DERIVATIVES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN | ALBANY MOLECULAR RESEARCH, INC. (US) | 2012-02-23 | — | — | WO | disclosed |