⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL980982 | 0.87 | TP53 (0.30) | — | |
| SCHEMBL978639 | 0.82 | KDM1A (0.37) | — | |
| SCHEMBL981322 | 0.77 | EGFR (0.34) | — | |
| SCHEMBL979774 | 0.75 | ACACB (0.34) | — | |
| SCHEMBL982486 | 0.75 | CYP3A4 (0.46) | — | |
| SCHEMBL980913 | 0.75 | EGFR (0.31) | — | |
| SCHEMBL983502 | 0.75 | PTGDR2 (0.31) | — | |
| SCHEMBL981014 | 0.73 | TP53 (0.32) | — | |
| SCHEMBL978761 | 0.73 | TP53 (0.31) | — | |
| SCHEMBL979169 | 0.71 | KDM1A (0.36) | — |
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 10 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 | claimed |
| US-8334287-B2 | Imidazoles | HOFFMANN-LA ROCHE INC. (US) | 2012-12-18 | — | — | US | claimed |
| EP-2456765-A1 | IMIDAZOLE DERIVATIVES AS MGLUR5 ANTAGONISTS | F. Hoffmann-La Roche AG (CH) | 2012-05-30 | — | — | EP | claimed |
| WO-2011006910-A1 | IMIDAZOLE DERIVATIVES AS MGLUR5 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-01-20 | — | — | WO | claimed |
| US-20110015202-A1 | IMIDAZOLES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-01-20 | — | — | US | claimed |
| 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 |
| 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 |