⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11237979 | 0.86 | — | — | |
| SCHEMBL11237977 | 0.86 | — | — | |
| SCHEMBL4707971 | 0.80 | — | — | |
| SCHEMBL4707967 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL31513934 | 0.78 | — | — | |
| SCHEMBL31570729 | 0.76 | — | — | |
| SCHEMBL31570726 | 0.76 | — | — | |
| SCHEMBL12505723 | 0.74 | — | — | |
| SCHEMBL29069129 | 0.74 | — | — | |
| SCHEMBL10430740 | 0.70 | — | — |
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-1740558-A1 | BENZOXAZOCINES AND THEIR THERAPEUTIC USE AS MONOAMINE REUPTAKE INHIBITORS | Sosei R&D Ltd. (GB) | 2007-01-10 | — | — | EP | claimed |
| WO-2005103019-A1 | BENZOXAZOCINES AND THEIR THERAPEUTIC USE AS MONOAMINE REUPTAKE INHIBITORS | SOSEI R&D LTD. (GB) | 2005-11-03 | — | — | WO | claimed |