⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14136314 | 0.79 | — | — | |
| SCHEMBL3017748 | 0.69 | — | — | |
| SCHEMBL27611568 | 0.66 | MAPT (0.31) | — | |
| SCHEMBL16788142 | 0.60 | CYP2C19 (0.34) | — | |
| SCHEMBL6338128 | 0.60 | — | — | |
| SCHEMBL4269732 | 0.60 | MAPT (0.34) | — | |
| SCHEMBL913506 | 0.59 | CYP2C19 (0.33) | — | |
| Butanone SCHEMBL29004226 | 0.59 | ALDH1A1 (0.42) | — | |
| SCHEMBL9301661 | 0.59 | USP2 (0.53) | — | |
| SCHEMBL25661031 | 0.59 | APAF1 (0.47) | — |
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 1 patent. 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 |