⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL717556 | 0.77 | — | — | |
| SCHEMBL791134 | 0.77 | — | — | |
| Cyclohexane SCHEMBL8177759 | 0.75 | KMT2A (0.34) | — | |
| SCHEMBL16965165 | 0.70 | — | — | |
| SCHEMBL1659301 | 0.70 | — | — | |
| SCHEMBL14428496 | 0.70 | — | — | |
| SCHEMBL6591267 | 0.70 | — | — | |
| SCHEMBL4017747 | 0.70 | — | — | |
| SCHEMBL10902063 | 0.70 | NOS3 (0.31) | — | |
| SCHEMBL6593063 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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-1495018-B3 | TRICYCLIC THROMBIN RECEPTOR ANTAGONISTS | SCHERING CORP (US) | 2011-03-16 | — | — | EP | disclosed |
| EP-1506962-B1 | Nitrogen-containing aromatic heterocycles | EISAI R&D MAN CO LTD (JP) | 2008-07-02 | — | — | EP | disclosed |