⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27955204 | 0.81 | — | — | |
| SCHEMBL633248 | 0.80 | — | — | |
| SCHEMBL10986486 | 0.79 | — | — | |
| SCHEMBL37771 | 0.79 | — | — | |
| SCHEMBL1164293 | 0.73 | — | — | |
| SCHEMBL13354484 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL1712649 | 0.73 | — | — | |
| SCHEMBL732007 | 0.73 | — | — | |
| SCHEMBL11133382 | 0.71 | — | — | |
| SCHEMBL83071 | 0.71 | — | — |
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-1992607-A1 | METHOD FOR PRODUCING 4-OXOQUINOLINE COMPOUND | Japan Tobacco, Inc. (JP) | 2008-11-19 | — | — | EP | disclosed |