⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23833685 | 0.79 | CYP1A2 (0.31) | — | |
| SCHEMBL17039191 | 0.75 | GBA1 (0.34) | — | |
| SCHEMBL4803671 | 0.73 | PLG (0.31) | — | |
| SCHEMBL4803677 | 0.73 | PLG (0.31) | — | |
| SCHEMBL4803680 | 0.72 | — | — | |
| SCHEMBL4803687 | 0.72 | — | — | |
| SCHEMBL6150126 | 0.70 | — | — | |
| SCHEMBL27119095 | 0.70 | GBA1 (0.32) | — | |
| SCHEMBL19645693 | 0.70 | KCNH2 (0.31) | — | |
| SCHEMBL17036516 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6964974-B2 | 2,3-oxidosqualene-lanosterol cyclase inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2005-11-15 | — | — | US | disclosed |
| EP-1317432-A1 | PIPERIDINE DERIVATIVES FOR USE AS 2,3-OXIDOSQUALENE-LANOSTEROL CYCLASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2003-06-11 | — | — | EP | disclosed |
| US-20020068753-A1 | 2,3-oxidosqualene-lanosterol cyclase inhibitors | HOFFMANN-LA ROCHE INC. | 2002-06-06 | — | — | US | disclosed |
| WO-2002020483-A1 | PIPERIDINE DERIVATIVES FOR USE 2,3-OXIDOSQUALENE-LANOSTEROL CYCLASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2002-03-14 | — | — | WO | disclosed |