⚠ 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 | 0.73 | TSHR (0.33) | — | |
| SCHEMBL4417836 | 0.73 | TSHR (0.33) | — | |
| SCHEMBL4872362 | 0.63 | — | — | |
| SCHEMBL22493081 | 0.62 | — | — | |
| SCHEMBL6506279 | 0.61 | — | — | |
| SCHEMBL4868123 | 0.61 | TSHR (0.36) | — | |
| SCHEMBL23242691 | 0.60 | — | — | |
| SCHEMBL456363 | 0.60 | TSHR (0.42) | — | |
| SCHEMBL10585849 | 0.56 | — | — | |
| SCHEMBL9442550 | 0.56 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1205927-C | Water soluble trioxanes as potent and safe anti-malarial agents | JOHNS HOPKING UNIV (US) | 2005-06-15 | — | — | CN | disclosed |
| US-RE38117-E1 | Trioxane dimer compound having antiproliferative and antitumor activities | HAUSER, INC. | 2003-05-06 | — | — | US | disclosed |
| EP-1021438-A4 | TRIOXANE DIMER COMPOUNDS HAVING ANTIPROLIFERATIVE AND ANTITUMOR ACTIVITIES | HAUSER INC (US) | 2002-08-28 | — | — | EP | disclosed |
| CN-1365278-A | Water soluble trioxanes as potent and safe anti-malarial agents | JOHNS HOPKINGS UNIV (US) | 2002-08-21 | — | — | CN | disclosed |
| WO-2000059501-A1 | WATER-SOLUBLE TRIOXANES AS POTENT AND SAFE ANTIMALARIAL AGENTS | JOHNS HOPKINS UNIVERSITY (US) | 2000-10-12 | — | — | WO | disclosed |
| EP-1021438-A1 | TRIOXANE DIMER COMPOUNDS HAVING ANTIPROLIFERATIVE AND ANTITUMOR ACTIVITIES | Hauser, Inc. (US) | 2000-07-26 | — | — | EP | disclosed |
| US-6004997-A | ANTICANCER AGENTS | HAUSER, INC. (US) | 1999-12-21 | — | — | US | disclosed |
| US-5840925-A | Trioxane dimer compounds having antiproliferative and antitumor activities | HAUSER, INC. (US) | 1998-11-24 | — | — | US | disclosed |
| WO-1998024786-A9 | TRIOXANE DIMER COMPOUNDS HAVING ANTIPROLIFERATIVE AND ANTITUMOR ACTIVITIES | — | 1998-10-08 | — | — | WO | disclosed |
| WO-1998024786-A1 | TRIOXANE DIMER COMPOUNDS HAVING ANTIPROLIFERATIVE AND ANTITUMOR ACTIVITIES | HAUSER, INC. (US) | 1998-06-11 | — | — | WO | disclosed |
| WO-1993014756-A1 | 1,2,4-TRIOXANE COMPOUNDS HAVING ANTIMALARIAL ACTIVITY | THE JOHNS HOPKINS UNIVERSITY (US) | 1993-08-05 | — | — | WO | disclosed |
| US-5225437-A | 1,2,4-trioxane compounds having antimalarial activity | THE JOHNS HOPKINS UNIVERSITY (US) | 1993-07-06 | — | — | US | disclosed |