⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2980503 | 0.89 | — | — | |
| SCHEMBL2971299 | 0.89 | — | — | |
| SCHEMBL13685234 | 0.86 | — | — | |
| SCHEMBL2981974 | 0.85 | CDK1 (0.31) | — | |
| SCHEMBL2983800 | 0.85 | — | — | |
| SCHEMBL2975963 | 0.85 | MAPK8 (0.34) | — | |
| SCHEMBL2980449 | 0.85 | IKBKB (0.32) | — | |
| SCHEMBL2972072 | 0.84 | CA1 (0.34) | — | |
| SCHEMBL2974790 | 0.83 | — | — | |
| SCHEMBL13685047 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1831207-B1 | AMINOPYRIMIDINE COMPOUNDS AS PLK INHIBITORS | AMGEN INC (US) | 2012-11-14 | — | — | EP | claimed |