⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4536902 | 0.70 | ALDH1A1 (0.34) | — | |
| SCHEMBL7331135 | 0.66 | AKR1B1 (0.41) | — | |
| SCHEMBL747701 | 0.66 | — | — | |
| SCHEMBL462176 | 0.60 | CYP2A6 (0.31) | — | |
| SCHEMBL669431 | 0.59 | — | — | |
| SCHEMBL3632746 | 0.59 | — | — | |
| SCHEMBL2230292 | 0.53 | MAPT (0.40) | — | |
| SCHEMBL6828416 | 0.53 | BACE1 (0.43) | — | |
| SCHEMBL8505105 | 0.53 | ALDH1A1 (0.32) | — | |
| SCHEMBL4697913 | 0.51 | — | — |
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-1904069-A2 | ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN | AMR Technology, Inc. (US) | 2008-04-02 | — | — | EP | disclosed |
| WO-2007011820-A2 | ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN | AMR TECHNOLOGY, INC. (US) | 2007-01-25 | — | — | WO | disclosed |