⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11883827 | 0.82 | APP (0.44) | — | |
| SCHEMBL16288648 | 0.72 | — | — | |
| SCHEMBL643765 | 0.72 | — | — | |
| SCHEMBL5958174 | 0.72 | — | — | |
| SCHEMBL5958075 | 0.72 | — | — | |
| SCHEMBL49163 | 0.72 | APP (0.67) | — | |
| SCHEMBL241059 | 0.70 | CA2 (0.46) | — | |
| SCHEMBL241974 | 0.69 | APP (0.36) | — | |
| SCHEMBL5496457 | 0.69 | GRM5 (0.50) | — | |
| SCHEMBL238995 | 0.69 | APP (0.70) | — |
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-1996550-A2 | CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES | Novartis AG (CH) | 2008-12-03 | — | — | EP | claimed |
| WO-2007038459-A2 | CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES | NOVARTIS AG (CH) | 2007-04-05 | — | — | WO | claimed |