⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL51590 | 0.96 | — | — | |
| SCHEMBL27257884 | 0.93 | — | — | |
| SCHEMBL29058177 | 0.93 | — | — | |
| SCHEMBL27916393 | 0.87 | ACHE (0.50) | — | |
| SCHEMBL1718237 | 0.87 | ACHE (0.50) | — | |
| SCHEMBL22802540 | 0.84 | ACHE (0.47) | — | |
| SCHEMBL27714343 | 0.84 | ACHE (0.47) | — | |
| SCHEMBL20302438 | 0.84 | ACHE (0.47) | — | |
| Magnesium Chloride Anhydrous SCHEMBL27620558 | 0.84 | ACHE (0.47) | — | |
| SCHEMBL27636656 | 0.84 | ACHE (0.47) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1199950-C | Quinolene derivatives as anti-inflammation agents | HOFFMANN LA ROCHE (CH) | 2005-05-04 | — | — | CN | disclosed |
| CN-1466575-A | Quinoline derivatives as anti-inflammatory agents | - | 2004-01-07 | — | — | CN | disclosed |