⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9506399 | 0.92 | — | — | |
| SCHEMBL9650910 | 0.89 | ATP4A (0.73) | — | |
| SCHEMBL27326833 | 0.85 | ATP4A (0.80) | — | |
| SCHEMBL9270736 | 0.78 | — | — | |
| SCHEMBL9513364 | 0.78 | — | — | |
| SCHEMBL9510355 | 0.77 | ATP4A (0.62) | — | |
| SCHEMBL9269733 | 0.77 | — | — | |
| SCHEMBL9506605 | 0.77 | ATP4A (0.80) | — | |
| SCHEMBL11238441 | 0.77 | ATP4A (0.70) | — | |
| Hydrochloric Acid SCHEMBL9273332 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1035663-A | The preparation method of the quinoline that replaces | SMITHKLINE BECKMAN INTERCREDIT (NL) | 1989-09-20 | — | — | CN | disclosed |