⚠ 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 | 0.94 | ATP4A (0.53) | — | |
| SCHEMBL9510303 | 0.89 | — | — | |
| SCHEMBL9650915 | 0.89 | — | — | |
| SCHEMBL7187992 | 0.86 | ATP4A (0.64) | — | |
| SCHEMBL9510341 | 0.83 | TP53 (0.51) | — | |
| SCHEMBL9507864 | 0.83 | ATP4A (0.73) | — | |
| SCHEMBL9653897 | 0.81 | ATP4A (0.58) | — | |
| SCHEMBL9653394 | 0.81 | MAPT (0.52) | — | |
| SCHEMBL5929784 | 0.81 | CSF1R (0.62) | — | |
| SCHEMBL9653892 | 0.81 | ATP4A (0.59) | — |
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 |