⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5285310 | 0.80 | — | — | |
| SCHEMBL2252151 | 0.74 | KCNH2 (0.34) | — | |
| SCHEMBL18787313 | 0.74 | — | — | |
| SCHEMBL20899065 | 0.73 | IKBKB (0.32) | — | |
| SCHEMBL3764874 | 0.73 | KCNH2 (0.41) | — | |
| SCHEMBL739945 | 0.73 | — | — | |
| SCHEMBL3454847 | 0.72 | KCNH2 (0.44) | — | |
| SCHEMBL295224 | 0.70 | — | — | |
| SCHEMBL4862018 | 0.69 | — | — | |
| SCHEMBL790586 | 0.69 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1499594-B1 | PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED-3-QUINOLINE AND 3-QUINOL-4-ONE CARBONITRILES | WYETH CORP (US) | 2005-08-17 | — | — | EP | disclosed |
| EP-1499594-A1 | PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED-3-QUINOLINE AND 3-QUINOL-4-ONE CARBONITRILES | Wyeth Holdings Corporation (US) | 2005-01-26 | — | — | EP | disclosed |
| US-6780996-B2 | KINASE INHIBITORS; ANTICANCER AGENTS | WYETH HOLDINGS CORPORATION | 2004-08-24 | — | — | US | disclosed |
| US-20030212276-A1 | Process for the preparation of 7-substituted-3 quinolinecarbonitriles | WYETH HOLDINGS CORPORATION | 2003-11-13 | — | — | US | disclosed |
| WO-2003093241-A1 | PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED-3-QUINOLINE AND 3-QUINOL-4-ONE CARBONITRILES | WYETH HOLDINGS CORPORATION (US) | 2003-11-13 | — | — | WO | disclosed |