⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL959050 | 0.64 | PTGIR (0.35) | — | |
| SCHEMBL3770567 | 0.62 | SMN1; SMN2 (0.44) | — | |
| SCHEMBL2080355 | 0.62 | TSHR (0.41) | — | |
| SCHEMBL3766336 | 0.62 | MAPT (0.49) | — | |
| SCHEMBL3766395 | 0.61 | CNR2 (0.40) | — | |
| SCHEMBL2726959 | 0.61 | PDK2 (0.50) | — | |
| SCHEMBL20357360 | 0.59 | MEN1 (0.44) | — | |
| SCHEMBL4272152 | 0.58 | ALDH1A1 (0.35) | — | |
| SCHEMBL3614873 | 0.57 | — | — | |
| SCHEMBL11790115 | 0.57 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1372655-B1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK FROSST CANADA LTD (CA) | 2008-10-01 | — | — | EP | disclosed |
| US-7012075-B2 | Cathepsin cysteine protease inhibitors | MERCK & CO., INC. (US) | 2006-03-14 | — | — | US | disclosed |
| EP-1372655-A4 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK FROSST CANADA INC (CA) | 2005-10-12 | — | — | EP | disclosed |
| US-20040198982-A1 | Cathepsin cysteine protease inhibitors | MERCK CANADA INC. (CA) | 2004-10-07 | — | — | US | disclosed |
| EP-1372655-A2 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | Merck Frosst Canada & Co. (CA) | 2004-01-02 | — | — | EP | disclosed |
| WO-2002069901-A2 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK FROSST CANADA & CO. (CA) | 2002-09-12 | — | — | WO | disclosed |