⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6526466 | 0.76 | KCNH2 (0.31) | — | |
| SCHEMBL6529316 | 0.76 | — | — | |
| SCHEMBL6371449 | 0.74 | KCNH2 (0.38) | — | |
| SCHEMBL6372902 | 0.73 | KDM4E (0.37) | — | |
| SCHEMBL6527629 | 0.72 | — | — | |
| SCHEMBL6372004 | 0.71 | KCNH2 (0.38) | — | |
| SCHEMBL5435812 | 0.71 | — | — | |
| SCHEMBL6371495 | 0.70 | KCNH2 (0.39) | — | |
| SCHEMBL6647153 | 0.69 | ALDH1A1 (0.40) | — | |
| SCHEMBL5794948 | 0.68 | CACNA1F (0.31) | — |
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 2 patents. 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 | claimed |
| WO-2005026145-A2 | QUINOLONE ANTIBACTERIAL AGENTS | WARNER-LAMBERT COMPANY LLC (US) | 2005-03-24 | — | — | WO | disclosed |