⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9652793 | 0.95 | ATP4A (0.53) | — | |
| SCHEMBL9653394 | 0.91 | MAPT (0.52) | — | |
| SCHEMBL9510303 | 0.90 | — | — | |
| SCHEMBL9510314 | 0.89 | — | — | |
| SCHEMBL7187992 | 0.87 | ATP4A (0.64) | — | |
| SCHEMBL9650997 | 0.84 | ATP4A (0.60) | — | |
| SCHEMBL9650844 | 0.83 | ATP4A (0.62) | — | |
| SCHEMBL5929776 | 0.82 | CSF1R (0.61) | — | |
| SCHEMBL9650906 | 0.82 | ATP4A (0.69) | — | |
| SCHEMBL9725778 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0259174-B1 | DERIVATIVES OF 4-AMINOQUINOLINE AND THEIR USE AS MEDICAMENTS | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1992-03-18 | — | — | EP | claimed |