⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16970027 | 0.72 | — | — | |
| SCHEMBL15296816 | 0.72 | — | — | |
| SCHEMBL13607301 | 0.68 | — | — | |
| SCHEMBL13679321 | 0.68 | — | — | |
| SCHEMBL12941885 | 0.68 | — | — | |
| SCHEMBL15047238 | 0.68 | — | — | |
| SCHEMBL13619371 | 0.68 | — | — | |
| SCHEMBL1144233 | 0.65 | — | — | |
| SCHEMBL257675 | 0.58 | — | — | |
| SCHEMBL5962534 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013097280-A1 | QUINOLINE AND CINNOLINE COMPOUNDS AND USE THEREOF | 沈阳药科大学 (CN) | 2013-07-04 | — | — | WO | disclosed |