⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3195573 | 1.00 | — | — | |
| SCHEMBL3789962 | 1.00 | — | — | |
| SCHEMBL3226797 | 0.80 | — | — | |
| SCHEMBL7353928 | 0.76 | CHRNB2 (0.35) | — | |
| SCHEMBL1316879 | 0.76 | CHRNB2 (0.35) | — | |
| SCHEMBL15917920 | 0.76 | CHRNB2 (0.35) | — | |
| SCHEMBL293116 | 0.75 | — | — | |
| SCHEMBL6053499 | 0.74 | CHRNB2 (0.36) | — | |
| SCHEMBL3195961 | 0.74 | CHRNB2 (0.36) | — | |
| SCHEMBL3087483 | 0.73 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080207677-A1 | Napthyridine Compounds As Rock Inhibitors | GPC BIOTECH AG (DE) | 2008-08-28 | — | — | US | claimed |
| US-20080207677-A1 | Napthyridine Compounds As Rock Inhibitors | GPC BIOTECH AG (DE) | 2008-08-28 | — | — | US | disclosed |
| EP-1833832-A1 | NAPTHYRIDINE COMPOUNDS AS ROCK INHIBITORS | GPC Biotech AG (DE) | 2007-09-19 | — | — | EP | disclosed |
| WO-2007060028-A1 | NAPTHYRIDINE COMPOUNDS AS ROCK INHIBITORS | GPC BIOTECH AG (DE) | 2007-05-31 | — | — | WO | disclosed |