⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3873883 | 0.83 | FAAH (0.33) | — | |
| SCHEMBL5774900 | 0.83 | FAAH (0.36) | — | |
| SCHEMBL3873957 | 0.77 | CASP1 (0.30) | — | |
| SCHEMBL3871717 | 0.75 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL3871984 | 0.75 | — | — | |
| SCHEMBL3870015 | 0.72 | — | — | |
| SCHEMBL3873322 | 0.72 | — | — | |
| SCHEMBL3881018 | 0.71 | — | — | |
| SCHEMBL8293818 | 0.70 | CTSS (0.36) | — | |
| SCHEMBL3879098 | 0.69 | SMYD3 (0.38) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7482448-B2 | Compounds and compositions as cathepsin inhibitors | AVENTIS PHARMACEUTICALS INC. (US) | 2009-01-27 | — | — | US | disclosed |
| US-20060189657-A1 | Novel compounds and compositions as cathepsin inhibitors | AVENTIS PHARMACEUTICALS INC. (US) | 2006-08-24 | — | — | US | disclosed |
| WO-2005040142-A9 | NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS | AVENTIS PHARMA INC (US) | 2005-06-09 | — | — | WO | disclosed |