⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4759994 | 0.77 | — | — | |
| SCHEMBL28914170 | 0.74 | — | — | |
| SCHEMBL5642277 | 0.73 | — | — | |
| SCHEMBL11213291 | 0.73 | — | — | |
| SCHEMBL4619007 | 0.73 | — | — | |
| SCHEMBL10949498 | 0.73 | — | — | |
| SCHEMBL14678521 | 0.71 | KMT2A (0.55) | — | |
| SCHEMBL31261748 | 0.70 | KMT2A (0.44) | — | |
| SCHEMBL5669181 | 0.70 | ALDH1A1 (0.40) | — | |
| SCHEMBL3877398 | 0.69 | — | — |
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-1320529-A1 | QUINOLINE DERIVATIVES AS ANTIBACTERIALS | SMITHKLINE BEECHAM PLC (GB) | 2003-06-25 | — | — | EP | disclosed |
| WO-2002024684-A1 | QUINOLINE DERIVATIVES AS ANTIBACTERIALS | SMITHKLINE BEECHAM P.L.C. (GB) | 2002-03-28 | — | — | WO | disclosed |