⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17006846 | 1.00 | — | — | |
| SCHEMBL27269519 | 1.00 | — | — | |
| SCHEMBL14708956 | 1.00 | — | — | |
| SCHEMBL1830086 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL31323873 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL28585458 | 0.97 | — | — | |
| SCHEMBL25565963 | 0.93 | CCR5 (0.41) | — | |
| SCHEMBL5241187 | 0.93 | CCR5 (0.41) | — | |
| SCHEMBL13250365 | 0.93 | CCR5 (0.47) | — | |
| SCHEMBL1243243 | 0.93 | CCR5 (0.47) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016020836-A1 | QUINOLONE DERIVATIVES AS ANTIBACTERIALS | NOVARTIS AG (CH) | 2016-02-11 | — | — | WO | disclosed |