⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21387217 | 0.72 | — | — | |
| SCHEMBL20943077 | 0.69 | — | — | |
| SCHEMBL6951688 | 0.69 | — | — | |
| SCHEMBL22756795 | 0.69 | — | — | |
| SCHEMBL20169935 | 0.67 | ALDH1A1 (0.30) | — | |
| SCHEMBL295463 | 0.67 | — | — | |
| SCHEMBL295462 | 0.67 | — | — | |
| SCHEMBL19993319 | 0.67 | ALDH1A1 (0.42) | — | |
| SCHEMBL134414 | 0.67 | — | — | |
| SCHEMBL13047630 | 0.65 | — | — |
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-1984345-B9 | BENZOXAZINES AND RELATED NITROGEN-CONTAINING HETEROBICYCLIC COMPOUNDS USEFUL AS MINERALOCORTICOID RECEPTOR MODULATING AGENTS | MITSUBISHI TANABE PHARMA CORP (JP) | 2012-03-21 | — | — | EP | disclosed |
| EP-1984345-B1 | BENZOXAZINES AND RELATED NITROGEN-CONTAINING HETEROBICYCLIC COMPOUNDS USEFUL AS MINERALOCORTICOID RECEPTOR MODULATING AGENTS | MITSUBISHI TANABE PHARMA CORP (JP) | 2011-08-31 | — | — | EP | disclosed |