⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29365333 | 0.72 | — | — | |
| SCHEMBL28381757 | 0.72 | UHRF1 (1.00) | — | |
| SCHEMBL30308690 | 0.72 | DYRK1A (0.65) | — | |
| SCHEMBL1896511 | 0.72 | DYRK1A (0.65) | — | |
| SCHEMBL44068 | 0.72 | — | — | |
| Iodide SCHEMBL9618570 | 0.70 | DYRK1A (0.63) | — | |
| SCHEMBL2646550 | 0.70 | — | — | |
| SCHEMBL11566788 | 0.70 | — | — | |
| Bromide SCHEMBL5327604 | 0.70 | UHRF1 (0.94) | — | |
| SCHEMBL17377386 | 0.70 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1844044-A1 | THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2007-10-17 | — | — | EP | disclosed |
| WO-2006074884-A1 | THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2006-07-20 | — | — | WO | disclosed |