⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9085332 | 1.00 | SIGMAR1 (0.42) | — | |
| SCHEMBL6949947 | 1.00 | SIGMAR1 (0.42) | — | |
| SCHEMBL11673856 | 0.97 | SIGMAR1 (0.39) | — | |
| SCHEMBL9225357 | 0.97 | — | — | |
| SCHEMBL7751427 | 0.89 | SIGMAR1 (0.56) | — | |
| SCHEMBL5883811 | 0.89 | SIGMAR1 (0.56) | — | |
| SCHEMBL5883750 | 0.89 | SIGMAR1 (0.50) | — | |
| SCHEMBL4807841 | 0.88 | SIGMAR1 (0.40) | — | |
| SCHEMBL4807846 | 0.88 | SIGMAR1 (0.40) | — | |
| SCHEMBL281878 | 0.88 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20090105479-A1 | 4-Oxo-1-3-Substituted Phenyl-1,4-Dihydro-1,8-Napthyridene-3-Carboxamide Phosphodiesterase-4 Inhibitor and a Method of Preparing Same | MERCK & CO., INC. (US) | 2009-04-23 | — | — | US | disclosed |
| US-20080070940-A1 | 4-Oxo-1-(3-substituted phenyl-1,4-dihydro-1,8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitor and a method of preparing same | DUBE DANIEL | 2008-03-20 | — | — | US | disclosed |
| US-20070099951-A1 | 4-oxo-1-(3-substituted phenyl)-1,4-dihydro-1,8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitor and a method of preparing same | DUBE DANIEL | 2007-05-03 | — | — | US | disclosed |