⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL10632239 | 0.97 | — | — | |
| SCHEMBL24515479 | 0.88 | — | — | |
| SCHEMBL8996508 | 0.85 | — | — | |
| SCHEMBL25451405 | 0.84 | — | — | |
| SCHEMBL14420963 | 0.81 | — | — | |
| SCHEMBL13314619 | 0.81 | PIK3CD (0.30) | — | |
| SCHEMBL13185383 | 0.79 | FFAR3 (0.58) | — | |
| SCHEMBL12563471 | 0.79 | — | — | |
| SCHEMBL23594496 | 0.77 | CYP2D6 (0.38) | — | |
| SCHEMBL12166478 | 0.77 | SHBG (0.32) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070049594-A1 | Novel compounds and compositions as cathepsin inhibitors | AVENTIS PHARMACEUTICALS INC. (US) | 2007-03-01 | — | — | US | claimed |
| EP-1383748-A2 | NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2004-01-28 | — | — | EP | claimed |
| WO-2002051983-A2 | NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2002-07-04 | — | — | WO | claimed |