⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5068982 | 0.84 | — | — | |
| SCHEMBL28466365 | 0.74 | KDM4E (0.31) | — | |
| SCHEMBL7157385 | 0.73 | — | — | |
| SCHEMBL27949938 | 0.73 | KDM4E (0.30) | — | |
| SCHEMBL7086744 | 0.72 | — | — | |
| SCHEMBL6886262 | 0.71 | KIF11 (0.40) | — | |
| SCHEMBL1673912 | 0.69 | — | — | |
| SCHEMBL28476969 | 0.69 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL27906518 | 0.69 | KIF11 (0.35) | — | |
| SCHEMBL4266709 | 0.67 | KIF11 (0.33) | — |
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-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 |
| WO-2003050082-A2 | REGIOISOMERICALLY PURE OXOCHLORINS AND METHODS OF SYNTHESIS | NORTH CAROLINA STATE UNIVERSITY (US) | 2003-06-19 | — | — | WO | disclosed |