⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5450099 | 0.87 | KDR (0.34) | — | |
| SCHEMBL5455204 | 0.83 | RIPK1 (0.34) | — | |
| SCHEMBL5456280 | 0.83 | PTGES (0.32) | — | |
| SCHEMBL5459601 | 0.71 | MAPK8 (0.33) | — | |
| SCHEMBL5451997 | 0.69 | RIPK1 (0.35) | — | |
| SCHEMBL5458915 | 0.69 | KDR (0.35) | — | |
| SCHEMBL5450937 | 0.69 | NPSR1 (0.35) | — | |
| SCHEMBL5450929 | 0.67 | — | — | |
| SCHEMBL5450934 | 0.65 | HPGD (0.38) | — | |
| SCHEMBL5450823 | 0.65 | KDR (0.34) | — |
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-20070021456-A1 | Aminobenzimidazole derivatives | MERCK PATENT GMBH (DE) | 2007-01-25 | — | — | US | claimed |
| EP-1656377-A1 | AMINOBENZIMIDAZOLE DERIVATIVES | MERCK PATENT GmbH (DE) | 2006-05-17 | — | — | EP | claimed |
| WO-2005019216-A1 | AMINOBENZIMIDAZOLE DERIVATIVES | MERCK PATENT GMBH (DE) | 2005-03-03 | — | — | WO | claimed |