⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL557766 | 0.83 | — | — | |
| SCHEMBL445846 | 0.76 | — | — | |
| SCHEMBL21436602 | 0.75 | — | — | |
| SCHEMBL4630612 | 0.68 | TSHR (0.33) | — | |
| SCHEMBL2066407 | 0.65 | — | — | |
| SCHEMBL4916750 | 0.65 | NPC1 (0.33) | — | |
| SCHEMBL4919495 | 0.64 | CYP2D6 (0.39) | — | |
| SCHEMBL17103474 | 0.63 | — | — | |
| SCHEMBL27912593 | 0.63 | LRRK2 (0.32) | — | |
| SCHEMBL5759676 | 0.60 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040229917-A1 | Imidazole derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2004-11-18 | — | — | US | claimed |
| EP-1606277-B8 | IMIDAZOL-4-YL-ETHYNYL-PYRIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2008-10-15 | — | — | EP | disclosed |
| EP-1606277-B1 | IMIDAZOL-4-YL-ETHYNYL-PYRIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2008-05-14 | — | — | EP | disclosed |
| US-7153874-B2 | Imidazole derivatives | HOFFMANN-LA ROCHE INC. (US) | 2006-12-26 | — | — | US | disclosed |
| EP-1606277-A1 | IMIDAZOL-4-YL-ETHYNYL-PYRIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2005-12-21 | — | — | EP | disclosed |
| US-20040229917-A1 | Imidazole derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2004-11-18 | — | — | US | disclosed |
| WO-2004080998-A1 | IMIDAZOL-4-YL-ETHYNYL-PYRIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2004-09-23 | — | — | WO | disclosed |