⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4171520 | 0.89 | — | — | |
| SCHEMBL5064167 | 0.89 | — | — | |
| SCHEMBL5064190 | 0.81 | — | — | |
| SCHEMBL4178775 | 0.80 | — | — | |
| SCHEMBL4178084 | 0.77 | — | — | |
| SCHEMBL5064183 | 0.74 | — | — | |
| SCHEMBL5064189 | 0.73 | — | — | |
| SCHEMBL3912294 | 0.71 | NPC1 (0.43) | — | |
| SCHEMBL3913647 | 0.71 | NPC1 (0.43) | — | |
| SCHEMBL2787411 | 0.70 | — | — |
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-7408058-B2 | Regioisomerically pure oxochlorins and methods of synthesis | NORTH CAROLINA STATE UNIVERSITY (US) | 2008-08-05 | — | — | US | disclosed |
| US-20040152887-A1 | Regioisomerically pure oxochlorins and methods of synthesis | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2004-08-05 | — | — | US | disclosed |
| US-6765092-B2 | OXIDIZING A CHLORIN TO PRODUCE A MIXTURE OF HYDROXYCHLORIN AND OXOCHLORIN, AND THEN OXIDIZING THE HYDROXYCHLORIN, PREFERABLY WITH DDQ | NORTH CAROLINA STATE UNIVERSITY | 2004-07-20 | — | — | US | disclosed |
| WO-2003050082-A2 | REGIOISOMERICALLY PURE OXOCHLORINS AND METHODS OF SYNTHESIS | NORTH CAROLINA STATE UNIVERSITY (US) | 2003-06-19 | — | — | WO | disclosed |
| US-20020137925-A1 | Regioisomerically pure oxochlorins and methods of synthesis | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2002-09-26 | — | — | US | disclosed |