⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL537399 | 0.98 | — | — | |
| SCHEMBL503006 | 0.85 | DRD2 (0.54) | — | |
| SCHEMBL503067 | 0.85 | DRD2 (0.54) | — | |
| SCHEMBL134338 | 0.85 | DRD2 (0.54) | — | |
| Hydrochloric Acid SCHEMBL917502 | 0.84 | DRD2 (0.53) | — | |
| Hydrochloric Acid SCHEMBL3653333 | 0.84 | DRD2 (0.53) | — | |
| SCHEMBL17548454 | 0.82 | SLC6A2 (0.48) | — | |
| SCHEMBL31322222 | 0.82 | — | — | |
| SCHEMBL31322262 | 0.81 | SLC18A3 (0.53) | — | |
| SCHEMBL9772595 | 0.77 | SLC6A2 (0.44) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9108957-B2 | 3-[1,4]oxazepane-4-pyrimidone derivatives | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2015-08-18 | — | — | US | disclosed |
| US-9108957-B2 | 3-[1,4]oxazepane-4-pyrimidone derivatives | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2015-08-18 | — | — | US | disclosed |
| US-20120095216-A1 | 3-[1,4]OXAZEPANE-4-PYRIMIDONE DERIVATIVES | SANOFI (FR) | 2012-04-19 | — | — | US | disclosed |
| US-20120095216-A1 | 3-[1,4]OXAZEPANE-4-PYRIMIDONE DERIVATIVES | SANOFI (FR) | 2012-04-19 | — | — | US | disclosed |
| WO-2010114179-A1 | 3-[1,4]OXAZEPANE-4-PYRIMIDONE DERIVATIVES | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2010-10-07 | — | — | WO | disclosed |