⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6256201 | 0.71 | MAPT (0.44) | — | |
| SCHEMBL2958656 | 0.70 | CA1 (0.36) | — | |
| SCHEMBL2565720 | 0.69 | CHRM2 (0.41) | — | |
| SCHEMBL1018789 | 0.69 | ALOX5 (0.46) | — | |
| SCHEMBL11728712 | 0.68 | AKR1C3 (0.42) | — | |
| SCHEMBL4257094 | 0.68 | ALOX5 (0.39) | — | |
| SCHEMBL7980848 | 0.68 | MAOB (0.31) | — | |
| SCHEMBL5069072 | 0.68 | — | — | |
| SCHEMBL2586684 | 0.68 | HPRT1 (0.47) | — | |
| SCHEMBL8331558 | 0.68 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2448935-A1 | SUBSTITUTED 2-CARBOXAMIDE CYCLOAMINO UREAS | Novartis AG (CH) | 2012-05-09 | — | — | EP | disclosed |
| WO-2011000905-A1 | SUBSTITUTED 2-CARBOXAMIDE CYCLOAMINO UREAS | NOVARTIS AG (CH) | 2011-01-06 | — | — | WO | disclosed |