⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5445284 | 0.71 | CCND1 (0.35) | — | |
| SCHEMBL5447085 | 0.70 | PKM (0.55) | — | |
| SCHEMBL5105187 | 0.69 | MAPK1 (0.38) | — | |
| SCHEMBL5445430 | 0.69 | POLB (0.43) | — | |
| SCHEMBL5099593 | 0.69 | MAPT (0.53) | — | |
| SCHEMBL4768241 | 0.68 | CTSK (0.45) | — | |
| SCHEMBL5455308 | 0.68 | KMT2A (0.53) | — | |
| SCHEMBL5446827 | 0.67 | PKM (0.55) | — | |
| SCHEMBL5445260 | 0.66 | MEN1 (0.62) | — | |
| SCHEMBL5444937 | 0.66 | KDM4E (0.52) | — |
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 |