⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1506244 | 0.96 | — | — | |
| SCHEMBL1506312 | 0.88 | — | — | |
| SCHEMBL1505692 | 0.87 | — | — | |
| SCHEMBL1506028 | 0.83 | MAPK1 (0.36) | — | |
| SCHEMBL1505686 | 0.82 | — | — | |
| SCHEMBL1506051 | 0.76 | — | — | |
| SCHEMBL3486866 | 0.75 | — | — | |
| SCHEMBL12832635 | 0.73 | — | — | |
| SCHEMBL12832851 | 0.72 | — | — | |
| SCHEMBL1506049 | 0.71 | — | — |
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-2011024004-A1 | HETEROCYCLIC UREA DERIVATIVES USEFUL FOR TREATMENT OF BACTERIAL INFECTION | ASTRAZENECA AB (SE) | 2011-03-03 | — | — | WO | disclosed |