⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18668243 | 0.75 | — | — | |
| SCHEMBL13071274 | 0.75 | — | — | |
| SCHEMBL27994254 | 0.74 | — | — | |
| SCHEMBL10660072 | 0.73 | — | — | |
| SCHEMBL483389 | 0.69 | — | — | |
| SCHEMBL1042 | 0.65 | — | — | |
| SCHEMBL13198079 | 0.65 | — | — | |
| SCHEMBL5719652 | 0.65 | TSHR (0.38) | — | |
| SCHEMBL4341315 | 0.65 | — | — | |
| SCHEMBL18533315 | 0.63 | — | — |
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-1606277-B8 | IMIDAZOL-4-YL-ETHYNYL-PYRIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2008-10-15 | — | — | EP | disclosed |
| EP-1606277-A1 | IMIDAZOL-4-YL-ETHYNYL-PYRIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2005-12-21 | — | — | EP | disclosed |
| CN-1612856-A | 1,3-diarylprop-2-en-1-ones, compositions containing same and use thereof | AVENTIS PHARMA SA (FR) | 2005-05-04 | — | — | CN | disclosed |
| WO-2004080998-A1 | IMIDAZOL-4-YL-ETHYNYL-PYRIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2004-09-23 | — | — | WO | disclosed |
| EP-0354322-A2 | Antidiabetic alpha-substituted phosphonates | AMERICAN CYANAMID COMPANY (US) | 1990-02-14 | — | — | EP | disclosed |