⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL539002 | 0.76 | — | — | |
| SCHEMBL17868260 | 0.71 | — | — | |
| SCHEMBL5626789 | 0.71 | — | — | |
| SCHEMBL4861628 | 0.69 | CSNK2A1 (0.33) | — | |
| SCHEMBL643262 | 0.67 | — | — | |
| SCHEMBL9568876 | 0.67 | HTR2B (0.40) | — | |
| SCHEMBL15110574 | 0.67 | AHR (0.43) | — | |
| SCHEMBL461605 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL20475963 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL28715598 | 0.64 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101277958-B | Naphthyridin derivatives | HOFFMANN LA ROCHE | 2011-09-07 | — | — | CN | disclosed |
| EP-1934216-B1 | NAPHTHYRIDIN DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2010-11-24 | — | — | EP | disclosed |
| EP-1934216-B1 | NAPHTHYRIDIN DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2010-11-24 | — | — | EP | disclosed |
| US-7511055-B2 | Naphthyridin derivatives | HOFFMANN-LA ROCHE INC. (US) | 2009-03-31 | — | — | US | disclosed |
| US-7511055-B2 | Naphthyridin derivatives | HOFFMANN-LA ROCHE INC. (US) | 2009-03-31 | — | — | US | disclosed |
| US-7511055-B2 | Naphthyridin derivatives | HOFFMANN-LA ROCHE INC. (US) | 2009-03-31 | — | — | US | disclosed |
| CN-101277958-A | Naphthyridin derivatives | HOFFMANN LA ROCHE (CH) | 2008-10-01 | — | — | CN | disclosed |
| EP-1934216-A1 | NAPHTHYRIDIN DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2008-06-25 | — | — | EP | disclosed |
| WO-2007039512-A1 | NAPHTHYRIDIN DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2007-04-12 | — | — | WO | disclosed |
| US-20070078155-A1 | Naphthyridin derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2007-04-05 | — | — | US | disclosed |
| US-20070078155-A1 | Naphthyridin derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2007-04-05 | — | — | US | disclosed |
| US-20070078155-A1 | Naphthyridin derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2007-04-05 | — | — | US | disclosed |