⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6882890 | 0.97 | — | — | |
| SCHEMBL3119209 | 0.82 | — | — | |
| SCHEMBL416977 | 0.82 | KDM4E (0.31) | — | |
| SCHEMBL1456096 | 0.82 | — | — | |
| SCHEMBL7900334 | 0.82 | KDM4E (0.31) | — | |
| SCHEMBL1456091 | 0.82 | KDM4E (0.31) | — | |
| SCHEMBL12628615 | 0.81 | ALDH1A1 (0.32) | — | |
| SCHEMBL6890079 | 0.79 | TRIM24 (0.39) | — | |
| SCHEMBL6890484 | 0.79 | TRIM24 (0.39) | — | |
| SCHEMBL14720962 | 0.78 | — | — |
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-1414813-A1 | 1,2,4-TRIOXOLANE ANTIMALARIALS | Medicines for Malaria Venture (CH) | 2004-05-06 | — | — | EP | disclosed |
| WO-2003000676-A1 | 1,2,4-TRIOXOLANE ANTIMALARIALS | MEDICINES FOR MALARIA VENTURE (CH) | 2003-01-03 | — | — | WO | disclosed |
| US-6486199-B1 | Spiro and dispiro 1,2,4-trioxolane antimalarials | MEDICINES FOR MALARIA VENTURE MMV INTERNATIONAL CENTRE COINTRIN (CH) | 2002-11-26 | — | — | US | disclosed |