⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4775805 | 0.81 | — | — | |
| SCHEMBL6640936 | 0.62 | — | — | |
| SCHEMBL6643762 | 0.61 | — | — | |
| SCHEMBL6195711 | 0.61 | CDK4 (0.30) | — | |
| SCHEMBL6197551 | 0.61 | — | — | |
| SCHEMBL6650441 | 0.61 | — | — | |
| SCHEMBL8556056 | 0.55 | GAA (0.46) | — | |
| SCHEMBL98305 | 0.54 | — | — | |
| SCHEMBL5739509 | 0.53 | CYP2A6 (0.35) | — | |
| SCHEMBL7844591 | 0.52 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1359908-A1 | QUINOLINES AND NITROGENATED DERIVATIVES THEREOF SUBSTITUTED IN 4-POSITION BY A PIPERIDINE-CONTAINING MOIETY AND THEIR USE AS ANTIBACTERIAL AGENTS | SMITHKLINE BEECHAM PLC (GB) | 2003-11-12 | — | — | EP | disclosed |
| WO-2002056882-A1 | QUINOLINES AND NITROGENATED DERIVAIVE THEREOF SUBSTITUTED IN 4-POSITION BY A PIPERIDINE-CONTAINING MOIETY AND THEIR USE AS ANTIBACTERIAL AGENTS | SMITHKLINE BEECHAM P.L.C. (GB) | 2002-07-25 | — | — | WO | disclosed |