⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16613711 | 0.76 | — | — | |
| SCHEMBL27930012 | 0.76 | — | — | |
| SCHEMBL13074090 | 0.74 | — | — | |
| SCHEMBL19041103 | 0.74 | — | — | |
| SCHEMBL478031 | 0.71 | — | — | |
| SCHEMBL7385402 | 0.71 | — | — | |
| SCHEMBL2162568 | 0.70 | — | — | |
| SCHEMBL2928912 | 0.70 | — | — | |
| SCHEMBL23939085 | 0.70 | — | — | |
| SCHEMBL28440197 | 0.69 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100457183-C | Cyclooxygenase-2 inhibitor/histone deacetylase inhibitor combination | NOVARTIS AG (CH) | 2009-02-04 | — | — | CN | disclosed |
| EP-1996550-A2 | CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES | Novartis AG (CH) | 2008-12-03 | — | — | EP | disclosed |
| WO-2007038459-A2 | CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES | NOVARTIS AG (CH) | 2007-04-05 | — | — | WO | disclosed |
| CN-1578674-A | Cyclooxygenase-2 inhibitor/histone deacetylase inhibitor combination | NOVARTIS AG (CH) | 2005-02-09 | — | — | CN | disclosed |