⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12808218 | 0.85 | — | — | |
| SCHEMBL12931624 | 0.76 | ALDH1A1 (0.39) | — | |
| SCHEMBL233273 | 0.75 | — | — | |
| SCHEMBL803572 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL1055618 | 0.74 | ALDH1A1 (0.43) | — | |
| SCHEMBL23209159 | 0.72 | — | — | |
| SCHEMBL457322 | 0.72 | — | — | |
| SCHEMBL21033086 | 0.72 | — | — | |
| SCHEMBL22728570 | 0.72 | — | — | |
| SCHEMBL3072169 | 0.72 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2448935-B1 | SUBSTITUTED 2-CARBOXAMIDE CYCLOAMINO UREAS | NOVARTIS AG (CH) | 2015-06-24 | — | — | EP | disclosed |
| US-8293753-B2 | Substituted 2-carboxamide cycloamino ureas | NOVARTIS AG (CH) | 2012-10-23 | — | — | US | disclosed |
| EP-2448935-A1 | SUBSTITUTED 2-CARBOXAMIDE CYCLOAMINO UREAS | Novartis AG (CH) | 2012-05-09 | — | — | EP | disclosed |
| US-20110003818-A1 | Substituted 2-Carboxamide Cycloamino Ureas | NOVARTIS AG (CH) | 2011-01-06 | — | — | US | disclosed |
| WO-2011000905-A1 | SUBSTITUTED 2-CARBOXAMIDE CYCLOAMINO UREAS | NOVARTIS AG (CH) | 2011-01-06 | — | — | WO | disclosed |