⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6531591 | 0.81 | PRKDC (0.32) | — | |
| SCHEMBL6527629 | 0.75 | — | — | |
| SCHEMBL5435643 | 0.73 | — | — | |
| SCHEMBL6526466 | 0.73 | KCNH2 (0.31) | — | |
| SCHEMBL6377126 | 0.72 | KCNH2 (0.34) | — | |
| SCHEMBL5446318 | 0.71 | — | — | |
| SCHEMBL6528433 | 0.70 | PRKDC (0.31) | — | |
| SCHEMBL6378161 | 0.69 | OPRL1 (0.34) | — | |
| SCHEMBL6529057 | 0.69 | — | — | |
| SCHEMBL6371300 | 0.68 | KCNH2 (0.43) | — |
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 |