⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8174388 | 0.67 | TSHR (0.33) | — | |
| SCHEMBL4417836 | 0.67 | TSHR (0.33) | — | |
| SCHEMBL11659674 | 0.63 | — | — | |
| SCHEMBL4868123 | 0.62 | TSHR (0.36) | — | |
| SCHEMBL1789455 | 0.57 | — | — | |
| SCHEMBL6506279 | 0.56 | — | — | |
| SCHEMBL456363 | 0.55 | TSHR (0.42) | — | |
| SCHEMBL4453883 | 0.55 | — | — | |
| SCHEMBL18496423 | 0.55 | — | — | |
| SCHEMBL9558490 | 0.52 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7417156-B2 | Orally active, antimalarial, anticancer, artemisinin-derived trioxane dimers | JOHNS HOPKINS UNIVERSITY (US) | 2008-08-26 | — | — | US | disclosed |
| US-20060142377-A1 | Orally active, antimalarial, anticancer, artemisinin-derived trioxane dimers with high selectively, stability and efficacy and methods of making the same | JOHNS HOPKINS UNIVERSITY-LICENSE & TECHNOLOGY DEVE (US) | 2006-06-29 | — | — | US | disclosed |
| WO-2004028476-A2 | ARTEMISININ-DERIVED TRIOXANE DIMERS | JOHNS HOPKINS UNIVERSITY (US) | 2004-04-08 | — | — | WO | disclosed |