⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6530172 | 0.73 | — | — | |
| SCHEMBL6531409 | 0.73 | JAK2 (0.32) | — | |
| SCHEMBL6529057 | 0.69 | — | — | |
| SCHEMBL6531591 | 0.69 | PRKDC (0.32) | — | |
| SCHEMBL5446318 | 0.69 | — | — | |
| SCHEMBL6528433 | 0.68 | PRKDC (0.31) | — | |
| SCHEMBL6529317 | 0.67 | TPH1 (0.31) | — | |
| SCHEMBL6526466 | 0.67 | KCNH2 (0.31) | — | |
| SCHEMBL6669787 | 0.66 | KCNH2 (0.37) | — | |
| SCHEMBL6527250 | 0.66 | OPRM1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2007505096-A | — | — | 2007-03-08 | — | — | JP | claimed |
| EP-1667994-A1 | QUINOLONE ANTIBACTERIAL AGENTS | Warner-Lambert Company LLC (US) | 2006-06-14 | — | — | EP | claimed |
| WO-2005026154-A1 | QUINOLONE ANTIBACTERIAL AGENTS | WARNER-LAMBERT COMPANY LLC (US) | 2005-03-24 | — | — | WO | claimed |