⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19403284 | 1.00 | — | — | |
| SCHEMBL19403093 | 0.71 | EPHX2 (0.44) | — | |
| SCHEMBL2258394 | 0.69 | GAA (0.31) | — | |
| SCHEMBL19403242 | 0.68 | — | — | |
| SCHEMBL19403283 | 0.68 | — | — | |
| SCHEMBL23656740 | 0.67 | F2 (0.33) | — | |
| SCHEMBL21455227 | 0.67 | F2 (0.33) | — | |
| SCHEMBL27111012 | 0.66 | — | — | |
| SCHEMBL12344125 | 0.66 | — | — | |
| SCHEMBL30993393 | 0.65 | — | — |
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-2017162611-A1 | QUINOLINE-3-CARBOXAMIDE COMPOUNDS AND THEIR USE IN TREATING CANCER | ASTRAZENECA AB (SE) | 2017-09-28 | — | — | WO | disclosed |