⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL447743 | 0.78 | TET2 (0.39) | — | |
| SCHEMBL14560562 | 0.78 | TSHR (0.32) | — | |
| SCHEMBL1493150 | 0.77 | — | — | |
| SCHEMBL2869434 | 0.77 | — | — | |
| SCHEMBL5088974 | 0.76 | TDP1 (0.41) | — | |
| SCHEMBL1225558 | 0.74 | — | — | |
| SCHEMBL2965396 | 0.74 | — | — | |
| SCHEMBL9156218 | 0.73 | ALDH1A1 (0.44) | — | |
| SCHEMBL3886847 | 0.72 | — | — | |
| SCHEMBL2468149 | 0.72 | — | — |
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-20090291923-A1 | TRIOXANE DIMERS HAVING HIGH ANTICANCER AND LONG-LASTING ANTIMALARIAL ACTIVITIES | JOHNS HOPKINS UNIVERSOTY (US) | 2009-11-26 | — | — | US | disclosed |
| US-20090291923-A1 | TRIOXANE DIMERS HAVING HIGH ANTICANCER AND LONG-LASTING ANTIMALARIAL ACTIVITIES | JOHNS HOPKINS UNIVERSOTY (US) | 2009-11-26 | — | — | US | disclosed |
| EP-1962596-A2 | TRIOXANE DIMERS HAVING HIGH ANTICANCER AND LONG-LASTING ANTIMALARIAL ACTIVITIES | The Johns Hopkins University (US) | 2008-09-03 | — | — | EP | disclosed |
| WO-2007067333-A2 | TRIOXANE DIMERS HAVING HIGH ANTICANCER AND LONG-LASTING ANTIMALARIAL ACTIVITIES | JOHNS HOPKINS UNIVERSITY (US) | 2007-06-14 | — | — | WO | disclosed |
| WO-2007067333-A2 | TRIOXANE DIMERS HAVING HIGH ANTICANCER AND LONG-LASTING ANTIMALARIAL ACTIVITIES | JOHNS HOPKINS UNIVERSITY (US) | 2007-06-14 | — | — | WO | disclosed |