⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6557853 | 1.00 | — | — | |
| SCHEMBL6557795 | 0.85 | HTR6 (0.32) | — | |
| SCHEMBL6557615 | 0.84 | CTSD (0.31) | — | |
| SCHEMBL5443363 | 0.68 | CTSK (0.38) | — | |
| SCHEMBL5438721 | 0.68 | CTSK (0.38) | — | |
| SCHEMBL5438623 | 0.68 | CTSK (0.38) | — | |
| SCHEMBL5441976 | 0.68 | KDM4E (0.34) | — | |
| SCHEMBL5441931 | 0.66 | KDM4E (0.34) | — | |
| SCHEMBL6206010 | 0.65 | KMT2A (0.32) | — | |
| SCHEMBL5440019 | 0.65 | KDM4E (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-1436255-A1 | NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS | Aventis Pharmaceuticals, Inc. (US) | 2004-07-14 | — | — | EP | claimed |
| WO-2003024924-A1 | NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS | AVENTIS PHARMACEUTICALS INC. (US) | 2003-03-27 | — | — | WO | claimed |