⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16556617 | 1.00 | — | — | |
| SCHEMBL2600284 | 0.86 | — | — | |
| SCHEMBL27533133 | 0.86 | — | — | |
| SCHEMBL12777737 | 0.86 | — | — | |
| SCHEMBL27112876 | 0.84 | — | — | |
| SCHEMBL1865551 | 0.84 | — | — | |
| SCHEMBL1865548 | 0.84 | — | — | |
| SCHEMBL25420170 | 0.79 | — | — | |
| SCHEMBL356585 | 0.79 | — | — | |
| SCHEMBL22775511 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20060178382-A1 | Chinazoline derivatives as aurora kinase inhibitors | ASTRAZENECA AB (SE) | 2006-08-10 | — | — | US | disclosed |