⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5385731 | 0.75 | CYP2D6 (0.33) | — | |
| SCHEMBL14378287 | 0.69 | AR (0.32) | — | |
| SCHEMBL3871984 | 0.62 | — | — | |
| SCHEMBL12500184 | 0.62 | PARG (0.32) | — | |
| SCHEMBL3871946 | 0.61 | — | — | |
| SCHEMBL12501217 | 0.59 | GAA (0.47) | — | |
| SCHEMBL7264400 | 0.57 | AR (0.31) | — | |
| SCHEMBL1815083 | 0.57 | FABP4 (0.34) | — | |
| SCHEMBL23791573 | 0.57 | CES1 (0.41) | — | |
| SCHEMBL12500185 | 0.57 | SMPD1 (0.37) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070203138-A1 | Novel Compounds and Compositions as Cathepsin S Inhibitors | AVENTIS PHARMACEUTICALS INC. (US) | 2007-08-30 | — | — | US | claimed |
| US-7226921-B2 | Compounds and compositions as cathepsin S inhibitors | AVENTIS PHARMACEUTICALS INC. (US) | 2007-06-05 | — | — | US | claimed |
| US-6977256-B2 | Compounds and compositions as cathepsin S inhibitors | AVENTIS PHARMACEUTICALS INC. (US) | 2005-12-20 | — | — | US | claimed |
| US-20050267044-A1 | Novel compounds and compositions as cathepsin S inhibitors | AVENTIS PHARMACEUTICALS INC. (US) | 2005-12-01 | — | — | US | claimed |
| EP-1446392-A1 | OLIGOPEPTIDES AND COMPOSITIONS CONTAINING THEM AS CATHEPSIN S INHIBITORS | Aventis Pharmaceuticals, Inc. (US) | 2004-08-18 | — | — | EP | claimed |
| US-20030199506-A1 | Novel compounds and compositions as cathepsin S inhibitors | AXYS PHARMACEUTICALS INC. | 2003-10-23 | — | — | US | claimed |
| WO-2003042197-A1 | OLIGOPEPTIDES AND COMPOSITIONS CONTAINING THEM AS CATHEPSIN S INHIBITORS | AVENTIS PHARMACEUTICALS INC. (US) | 2003-05-22 | — | — | WO | claimed |
| US-20070203138-A1 | Novel Compounds and Compositions as Cathepsin S Inhibitors | AVENTIS PHARMACEUTICALS INC. (US) | 2007-08-30 | — | — | US | disclosed |
| US-7226921-B2 | Compounds and compositions as cathepsin S inhibitors | AVENTIS PHARMACEUTICALS INC. (US) | 2007-06-05 | — | — | US | disclosed |
| US-6977256-B2 | Compounds and compositions as cathepsin S inhibitors | AVENTIS PHARMACEUTICALS INC. (US) | 2005-12-20 | — | — | US | disclosed |
| US-20050267044-A1 | Novel compounds and compositions as cathepsin S inhibitors | AVENTIS PHARMACEUTICALS INC. (US) | 2005-12-01 | — | — | US | disclosed |
| US-20030199506-A1 | Novel compounds and compositions as cathepsin S inhibitors | AXYS PHARMACEUTICALS INC. | 2003-10-23 | — | — | US | disclosed |