⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22489 | 0.95 | — | — | |
| SCHEMBL4873099 | 0.95 | TSHR (0.46) | — | |
| SCHEMBL18918455 | 0.95 | — | — | |
| SCHEMBL10713958 | 0.95 | TSHR (0.46) | — | |
| SCHEMBL4438485 | 0.95 | — | — | |
| Cyclohexane SCHEMBL7515073 | 0.91 | TSHR (0.42) | — | |
| Bromide SCHEMBL1786729 | 0.91 | TSHR (0.42) | — | |
| SCHEMBL28908204 | 0.91 | — | — | |
| Methane SCHEMBL29241723 | 0.91 | — | — | |
| Water SCHEMBL28636710 | 0.91 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8592611-B2 | Trioxane dimer sulfur compounds | THE JOHNS HOPKINS UNIVERSITY (US) | 2013-11-26 | — | — | US | disclosed |
| US-8592611-B2 | Trioxane dimer sulfur compounds | THE JOHNS HOPKINS UNIVERSITY (US) | 2013-11-26 | — | — | US | disclosed |
| EP-2328579-B1 | TRIOXANE DIMER SULFUR COMPOUNDS | UNIV JOHNS HOPKINS (US) | 2013-10-23 | — | — | EP | disclosed |
| EP-2328579-A1 | TRIOXANE DIMER SULFUR COMPOUNDS | THE JOHNS HOPKINS UNIVERSITY (US) | 2011-06-08 | — | — | EP | disclosed |
| EP-2328579-A1 | TRIOXANE DIMER SULFUR COMPOUNDS | THE JOHNS HOPKINS UNIVERSITY (US) | 2011-06-08 | — | — | EP | disclosed |
| US-20110124603-A1 | Trioxane Dimer Sulfur Compounds | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2011-05-26 | — | — | US | disclosed |
| US-20110124603-A1 | Trioxane Dimer Sulfur Compounds | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2011-05-26 | — | — | US | disclosed |
| WO-2010009428-A1 | TRIOXANE DIMER SULFUR COMPOUNDS | THE JOHNS HOPKINS UNIVERSITY (US) | 2010-01-21 | — | — | WO | disclosed |
| WO-2010009428-A1 | TRIOXANE DIMER SULFUR COMPOUNDS | THE JOHNS HOPKINS UNIVERSITY (US) | 2010-01-21 | — | — | WO | disclosed |