⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5370458 | 0.91 | — | — | |
| SCHEMBL5377926 | 0.85 | LRRK2 (0.31) | — | |
| SCHEMBL5373773 | 0.84 | — | — | |
| SCHEMBL5373823 | 0.83 | — | — | |
| SCHEMBL5365189 | 0.82 | — | — | |
| SCHEMBL5369091 | 0.80 | — | — | |
| SCHEMBL5365172 | 0.74 | — | — | |
| SCHEMBL5371233 | 0.73 | — | — | |
| SCHEMBL5382021 | 0.72 | POLB (0.30) | — | |
| SCHEMBL5438787 | 0.72 | TPH1 (0.35) | — |
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 |