⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4805404 | 0.85 | — | — | |
| SCHEMBL9789727 | 0.83 | ALDH1A1 (0.41) | — | |
| SCHEMBL27095807 | 0.79 | PYCR1 (0.41) | — | |
| SCHEMBL8089608 | 0.78 | — | — | |
| SCHEMBL5961343 | 0.78 | — | — | |
| SCHEMBL13757276 | 0.78 | TSHR (0.42) | — | |
| SCHEMBL14844783 | 0.77 | CA12 (0.53) | — | |
| SCHEMBL14727255 | 0.76 | TSHR (0.42) | — | |
| SCHEMBL22157540 | 0.76 | DNM1 (0.44) | — | |
| SCHEMBL3431050 | 0.76 | — | — |
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-1311475-B1 | AMINOCYCLOHEXANE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2008-08-06 | — | — | EP | disclosed |
| US-7335687-B2 | 2,3-Oxidosqualene-lanosterol cyclase inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2008-02-26 | — | — | US | disclosed |
| US-20050176766-A1 | 2,3-Oxidosqualene-lanosterol cyclase inhibitors | ACKERMANN JEAN (CH) | 2005-08-11 | — | — | US | disclosed |
| US-6858651-B2 | 2,3-oxidosqualene-lanosterol cyclase inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2005-02-22 | — | — | US | disclosed |
| US-20020045777-A1 | 2,3-oxidosqualene-lanosterol cyclase inhibitors | F.HOFFMANN-LA ROCHE AG (CH) | 2002-04-18 | — | — | US | disclosed |