⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL34472342 | 0.71 | — | — | |
| SCHEMBL4294981 | 0.71 | — | — | |
| SCHEMBL1854729 | 0.62 | — | — | |
| Bicarbonate SCHEMBL7130646 | 0.62 | — | — | |
| Oxalic Acid SCHEMBL29509924 | 0.61 | — | — | |
| SCHEMBL626340 | 0.61 | — | — | |
| SCHEMBL4073685 | 0.59 | — | — | |
| SCHEMBL30199898 | 0.59 | — | — | |
| Carbamic Acid SCHEMBL27734879 | 0.59 | ACHE (0.33) | — | |
| Acetic Acid SCHEMBL27698034 | 0.59 | FFAR3 (0.33) | — |
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 2 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-A1 | NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS | AVENTIS PHARMACEUTICALS INC. (US) | 2005-05-06 | — | — | WO | claimed |