⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL335601 | 0.92 | TOP2A (0.34) | — | |
| SCHEMBL19470007 | 0.92 | TOP2A (0.34) | — | |
| SCHEMBL910258 | 0.85 | TOP2A (0.39) | — | |
| SCHEMBL910118 | 0.85 | TOP2A (0.39) | — | |
| SCHEMBL910127 | 0.85 | TOP2A (0.42) | — | |
| SCHEMBL910202 | 0.85 | TOP2A (0.42) | — | |
| SCHEMBL335130 | 0.78 | TOP2A (0.49) | — | |
| SCHEMBL1312958 | 0.78 | TOP2A (0.33) | — | |
| SCHEMBL335751 | 0.78 | TOP2A (0.46) | — | |
| SCHEMBL3730946 | 0.78 | CCR1 (0.35) | — |
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-20110009394-A1 | TRICYCLIC NITROGEN COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS | GLAXO GROUP LIMITED (GB) | 2011-01-13 | — | — | US | disclosed |