⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL972186 | 0.77 | — | — | |
| SCHEMBL3557423 | 0.74 | — | — | |
| SCHEMBL28668873 | 0.74 | — | — | |
| SCHEMBL2139346 | 0.73 | — | — | |
| SCHEMBL9532671 | 0.73 | — | — | |
| SCHEMBL3661576 | 0.72 | GABRA1 (0.41) | — | |
| SCHEMBL5325114 | 0.71 | AKR1B1 (0.48) | — | |
| SCHEMBL10973110 | 0.70 | ALOX5 (0.47) | — | |
| SCHEMBL9227837 | 0.70 | — | — | |
| SCHEMBL2332 | 0.69 | — | — |
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-1212302-A1 | COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2002-06-12 | — | — | EP | disclosed |
| WO-2001019796-A1 | COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2001-03-22 | — | — | WO | disclosed |