⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6843956 | 1.00 | — | — | |
| SCHEMBL6848020 | 0.85 | — | — | |
| SCHEMBL6848017 | 0.85 | — | — | |
| SCHEMBL6849421 | 0.81 | GAA (0.31) | — | |
| SCHEMBL6849418 | 0.81 | GAA (0.31) | — | |
| SCHEMBL6843959 | 0.81 | NR3C2 (0.37) | — | |
| SCHEMBL6848824 | 0.80 | PARP1 (0.35) | — | |
| SCHEMBL6848865 | 0.80 | PARP1 (0.35) | — | |
| SCHEMBL7749245 | 0.68 | — | — | |
| SCHEMBL5429260 | 0.68 | PTGS2 (0.32) | — |
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-6770596-B1 | Fused tricyclic compounds, process for their preparation, and herbicidal compositions containing them | ISHIHARA SANGYO KAISHA LTD. (JP) | 2004-08-03 | — | — | US | disclosed |