⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4779485 | 0.83 | DPP8 (0.35) | — | |
| SCHEMBL4779233 | 0.77 | NAMPT (0.34) | — | |
| SCHEMBL4779060 | 0.67 | CYP1A2 (0.42) | — | |
| SCHEMBL4910552 | 0.65 | HDAC8 (0.39) | — | |
| SCHEMBL4779331 | 0.65 | HDAC8 (0.39) | — | |
| SCHEMBL4778154 | 0.64 | ABL1 (0.34) | — | |
| SCHEMBL8217044 | 0.63 | NAMPT (0.37) | — | |
| SCHEMBL20159097 | 0.58 | DPP4 (0.37) | — | |
| SCHEMBL256350 | 0.56 | CYP3A4 (0.37) | — | |
| SCHEMBL21495021 | 0.56 | CES2 (0.35) | — |
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 |