⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16470963 | 0.68 | — | — | |
| SCHEMBL17734088 | 0.67 | — | — | |
| SCHEMBL17451032 | 0.67 | — | — | |
| SCHEMBL17451017 | 0.64 | — | — | |
| Piperazine SCHEMBL7170530 | 0.58 | — | — | |
| Hydrochloric Acid SCHEMBL1275326 | 0.57 | — | — | |
| SCHEMBL3581355 | 0.57 | — | — | |
| SCHEMBL7106317 | 0.56 | — | — | |
| SCHEMBL16569328 | 0.55 | — | — | |
| SCHEMBL16247838 | 0.53 | — | — |
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-1436255-A1 | NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS | Aventis Pharmaceuticals, Inc. (US) | 2004-07-14 | — | — | EP | disclosed |
| WO-2003024924-A1 | NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS | AVENTIS PHARMACEUTICALS INC. (US) | 2003-03-27 | — | — | WO | disclosed |