⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27984862 | 0.71 | MAP3K14 (0.33) | — | |
| SCHEMBL980908 | 0.69 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL394820 | 0.60 | — | — | |
| SCHEMBL981733 | 0.59 | AOC3 (0.34) | — | |
| SCHEMBL13599453 | 0.59 | — | — | |
| SCHEMBL20813387 | 0.59 | MIF (0.32) | — | |
| Water SCHEMBL9340500 | 0.58 | LOXL2 (0.33) | — | |
| Water SCHEMBL9340526 | 0.58 | — | — | |
| SCHEMBL979790 | 0.56 | TSHR (0.30) | — | |
| SCHEMBL18721818 | 0.55 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2456765-B1 | IMIDAZOLE DERIVATIVES AS MGLUR5 ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2013-05-01 | — | — | EP | disclosed |
| US-8334287-B2 | Imidazoles | HOFFMANN-LA ROCHE INC. (US) | 2012-12-18 | — | — | US | disclosed |
| EP-2456765-A1 | IMIDAZOLE DERIVATIVES AS MGLUR5 ANTAGONISTS | F. Hoffmann-La Roche AG (CH) | 2012-05-30 | — | — | EP | disclosed |
| CN-102471309-A | Imidazole derivatives as MGLUR5 antagonists | HOFFMANN LA ROCHE | 2012-05-23 | — | — | CN | disclosed |
| WO-2011006910-A1 | IMIDAZOLE DERIVATIVES AS MGLUR5 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-01-20 | — | — | WO | disclosed |
| US-20110015202-A1 | IMIDAZOLES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-01-20 | — | — | US | disclosed |