⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4949306 | 0.80 | — | — | |
| SCHEMBL11791980 | 0.72 | — | — | |
| SCHEMBL1712344 | 0.69 | — | — | |
| SCHEMBL2318235 | 0.69 | — | — | |
| SCHEMBL6210093 | 0.64 | — | — | |
| SCHEMBL19154253 | 0.64 | TNKS2 (0.35) | — | |
| SCHEMBL12867631 | 0.62 | MAOA (0.38) | — | |
| SCHEMBL4823795 | 0.61 | PNMT (0.37) | — | |
| SCHEMBL20523392 | 0.61 | — | — | |
| SCHEMBL19005656 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1885725-B1 | TRICYCLIC AZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS | HOFFMANN LA ROCHE (CH) | 2008-09-24 | — | — | EP | disclosed |
| EP-1885725-A1 | TRICYCLIC AZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS | F.HOFFMANN-LA ROCHE AG (CH) | 2008-02-13 | — | — | EP | disclosed |
| WO-2006108488-A1 | TRICYCLIC AZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-10-19 | — | — | WO | disclosed |
| US-20060235013-A1 | Tricyclic azole derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2006-10-19 | — | — | US | disclosed |