⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9349728 | 0.99 | — | — | |
| SCHEMBL9349683 | 0.92 | MEN1 (0.55) | — | |
| SCHEMBL7180952 | 0.85 | ATP4A (0.56) | — | |
| SCHEMBL9513429 | 0.84 | ATP4A (0.58) | — | |
| SCHEMBL9353356 | 0.84 | ATP4A (0.53) | — | |
| SCHEMBL9353375 | 0.83 | ATP4A (0.54) | — | |
| SCHEMBL9353287 | 0.83 | ATP4A (0.69) | — | |
| SCHEMBL7187992 | 0.82 | ATP4A (0.64) | — | |
| SCHEMBL9513098 | 0.82 | ATP4A (0.53) | — | |
| SCHEMBL9349638 | 0.82 | ATP4A (0.70) | — |
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-0416749-B1 | Substituted 4-aminoquinolines | SMITHKLINE BEECHAM INTERCREDIT (NL) | 1994-08-17 | — | — | EP | claimed |