⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24478783 | 1.00 | — | — | |
| SCHEMBL15386151 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL537402 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL29091011 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL2118963 | 0.97 | — | — | |
| SCHEMBL16926 | 0.83 | — | — | |
| SCHEMBL4733761 | 0.83 | — | — | |
| SCHEMBL6999 | 0.83 | — | — | |
| SCHEMBL31741248 | 0.83 | — | — | |
| SCHEMBL306399 | 0.83 | — | — |
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 |