⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21336594 | 1.00 | — | — | |
| SCHEMBL14547791 | 0.74 | — | — | |
| SCHEMBL17468755 | 0.74 | — | — | |
| SCHEMBL22810130 | 0.74 | CA1 (0.32) | — | |
| SCHEMBL13784324 | 0.74 | — | — | |
| SCHEMBL8268084 | 0.74 | — | — | |
| SCHEMBL18570156 | 0.74 | — | — | |
| SCHEMBL10080867 | 0.71 | — | — | |
| SCHEMBL21783851 | 0.69 | CA1 (0.30) | — | |
| SCHEMBL21936188 | 0.69 | CA1 (0.30) | — |
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-2015144001-A1 | QUINOLINE DERIVATIVES AS SMO INHIBITORS | 南京明德新药研发股份有限公司 | 2015-10-01 | — | — | WO | disclosed |