⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3871136 | 0.85 | — | — | |
| SCHEMBL3871972 | 0.77 | — | — | |
| SCHEMBL3871198 | 0.75 | HDAC4 (0.31) | — | |
| SCHEMBL3869522 | 0.67 | — | — | |
| SCHEMBL3870483 | 0.67 | PDK1 (0.30) | — | |
| SCHEMBL3871717 | 0.65 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL3870037 | 0.65 | CTSS (0.46) | — | |
| SCHEMBL3873105 | 0.64 | HCRTR1 (0.31) | — | |
| SCHEMBL3871984 | 0.64 | — | — | |
| SCHEMBL3881018 | 0.64 | — | — |
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-1682524-A1 | NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS | Aventis Pharmaceuticals, Inc. (US) | 2006-07-26 | — | — | EP | claimed |
| WO-2005040142-A9 | NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS | AVENTIS PHARMA INC (US) | 2005-06-09 | — | — | WO | claimed |
| WO-2005040142-A1 | NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS | AVENTIS PHARMACEUTICALS INC. (US) | 2005-05-06 | — | — | WO | claimed |
| US-7482448-B2 | Compounds and compositions as cathepsin inhibitors | AVENTIS PHARMACEUTICALS INC. (US) | 2009-01-27 | — | — | US | disclosed |
| WO-2005040142-A9 | NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS | AVENTIS PHARMA INC (US) | 2005-06-09 | — | — | WO | disclosed |