⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9725778 | 0.92 | — | — | |
| SCHEMBL9508799 | 0.87 | — | — | |
| SCHEMBL9510303 | 0.85 | — | — | |
| SCHEMBL9515683 | 0.84 | — | — | |
| SCHEMBL27501732 | 0.83 | — | — | |
| SCHEMBL9506370 | 0.80 | — | — | |
| SCHEMBL9652793 | 0.79 | ATP4A (0.53) | — | |
| SCHEMBL10473762 | 0.78 | — | — | |
| SCHEMBL9650915 | 0.77 | — | — | |
| SCHEMBL9650997 | 0.77 | ATP4A (0.60) | — |
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-0342775-B1 | 4-AMINO-3-ACYLQUINOLINE DERIVATIVES AND THEIR USE AS INHIBITORS OF GASTRIC SECRETION | SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) | 1993-09-15 | — | — | EP | claimed |