⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4557925 | 0.71 | — | — | |
| SCHEMBL1887209 | 0.70 | — | — | |
| SCHEMBL28115587 | 0.68 | — | — | |
| Ammonia Solution, Strong SCHEMBL29002045 | 0.68 | — | — | |
| SCHEMBL2641144 | 0.68 | — | — | |
| SCHEMBL29785828 | 0.64 | — | — | |
| SCHEMBL4794094 | 0.62 | — | — | |
| SCHEMBL26108801 | 0.61 | — | — | |
| SCHEMBL32998 | 0.60 | — | — | |
| SCHEMBL3777104 | 0.59 | — | — |
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 3 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 | disclosed |
| US-20080255149-A1 | Carboxyamine Compounds and Methods of Use Thereof | NOVARTIS AG | 2008-10-16 | — | — | US | disclosed |
| WO-2007038459-A2 | CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES | NOVARTIS AG (CH) | 2007-04-05 | — | — | WO | disclosed |