⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5371044 | 0.86 | — | — | |
| SCHEMBL5385628 | 0.82 | WDR5 (0.35) | — | |
| SCHEMBL5377136 | 0.81 | — | — | |
| SCHEMBL5372858 | 0.80 | — | — | |
| SCHEMBL5386451 | 0.69 | — | — | |
| SCHEMBL5375916 | 0.68 | PDE10A (0.32) | — | |
| SCHEMBL5377324 | 0.64 | KDM1A (0.36) | — | |
| SCHEMBL5438787 | 0.64 | TPH1 (0.35) | — | |
| SCHEMBL5372902 | 0.62 | PDE10A (0.36) | — | |
| SCHEMBL5373611 | 0.61 | PRMT5 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20070232582-A1 | 4-substituted or unsubtituted-7-hydro-1,4-thiazepine-7-[bicyclic or tricyclic heteroaryl] substituted-3,6-dicarboxylic acid derivatives as beta-lactamase inhibitors | WYETH HOLDINGS CORPORATION (US) | 2007-10-04 | — | — | US | disclosed |
| US-7229983-B2 | 4-substituted or unsubstituted-7-hydro-1,4-thiazepine-7-[bicyclic or tricyclic heteroaryl] substituted-3,6-dicarboxylic acid derivatives as β-lactamase inhibitors | WYETH HOLDINGS CORPORATION (US) | 2007-06-12 | — | — | US | disclosed |
| US-20040214812-A1 | 4-Substituted or unsubstituted-7-hydro-1,4-thiazepine-7-[bicyclic or tricyclic heteroaryl] substituted-3,6-dicarboxylic acid derivatives as beta-lactamase inhibitors | WYETH HOLDINGS CORPORATION (US) | 2004-10-28 | — | — | US | disclosed |