⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1668386 | 0.73 | — | — | |
| SCHEMBL1966024 | 0.71 | — | — | |
| SCHEMBL8961937 | 0.62 | — | — | |
| SCHEMBL4052707 | 0.57 | — | — | |
| SCHEMBL1184487 | 0.57 | — | — | |
| SCHEMBL4650150 | 0.54 | — | — | |
| SCHEMBL5884621 | 0.54 | — | — | |
| SCHEMBL17081031 | 0.54 | — | — | |
| SCHEMBL12520988 | 0.52 | — | — | |
| SCHEMBL8277496 | 0.52 | — | — |
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-1651635-A1 | NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS | Pfizer Limited (GB) | 2006-05-03 | — | — | EP | disclosed |
| WO-2005009989-A1 | NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS | PFIZER LIMITED (GB) | 2005-02-03 | — | — | WO | disclosed |
| US-20050020587-A1 | Nicotinamide derivatives useful as PDE4 inhibitors | PFIZER INC | 2005-01-27 | — | — | US | disclosed |