⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6672501 | 0.79 | KCNH2 (0.31) | — | |
| SCHEMBL6526466 | 0.77 | KCNH2 (0.31) | — | |
| SCHEMBL6669192 | 0.77 | KCNH2 (0.33) | — | |
| SCHEMBL6530885 | 0.76 | — | — | |
| SCHEMBL6671058 | 0.75 | KCNH2 (0.33) | — | |
| SCHEMBL6669644 | 0.74 | KCNH2 (0.32) | — | |
| SCHEMBL6670836 | 0.72 | KCNH2 (0.32) | — | |
| SCHEMBL6529057 | 0.72 | — | — | |
| SCHEMBL6671593 | 0.71 | KCNH2 (0.32) | — | |
| SCHEMBL6532087 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005026145-A2 | QUINOLONE ANTIBACTERIAL AGENTS | WARNER-LAMBERT COMPANY LLC (US) | 2005-03-24 | — | — | WO | disclosed |