⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL841621 | 0.79 | — | — | |
| SCHEMBL27735238 | 0.77 | — | — | |
| SCHEMBL6167670 | 0.77 | — | — | |
| SCHEMBL28804246 | 0.75 | MGAM (0.40) | — | |
| SCHEMBL8702900 | 0.75 | — | — | |
| SCHEMBL4705802 | 0.75 | — | — | |
| SCHEMBL841871 | 0.75 | — | — | |
| SCHEMBL27544911 | 0.75 | — | — | |
| SCHEMBL11184108 | 0.75 | — | — | |
| SCHEMBL21680737 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1620296-A | Substituted quinazoline derivatives as inhibitors of aurora kinases | ASTRAZENECA AB (SE) | 2005-05-25 | — | — | CN | disclosed |