⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12610070 | 0.86 | — | — | |
| SCHEMBL12610072 | 0.86 | — | — | |
| SCHEMBL12609911 | 0.83 | — | — | |
| SCHEMBL12609910 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL12610047 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL12610043 | 0.82 | — | — | |
| SCHEMBL12609623 | 0.79 | — | — | |
| SCHEMBL12609616 | 0.79 | — | — | |
| SCHEMBL12610013 | 0.79 | — | — | |
| SCHEMBL12610006 | 0.79 | — | — |
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-2418205-A1 | Pyrimidine urea derivatives as kinase inhibitors | Novartis AG (CH) | 2012-02-15 | — | — | EP | disclosed |