⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3302603 | 0.72 | — | — | |
| SCHEMBL3145077 | 0.61 | CES2 (0.31) | — | |
| SCHEMBL28253045 | 0.59 | — | — | |
| SCHEMBL2423891 | 0.58 | — | — | |
| SCHEMBL610112 | 0.57 | ALDH1A1 (0.33) | — | |
| SCHEMBL28019272 | 0.56 | SIGMAR1 (0.32) | — | |
| SCHEMBL13887309 | 0.54 | — | — | |
| SCHEMBL22251901 | 0.54 | — | — | |
| SCHEMBL17200847 | 0.54 | ALDH1A1 (0.37) | — | |
| SCHEMBL1510123 | 0.54 | ALDH1A1 (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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1248612-B1 | NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS | MERCK FROSST CANADA LTD (CA) | 2008-02-27 | — | — | EP | disclosed |
| EP-1248612-A4 | NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS | MERCK FROSST CANADA INC (CA) | 2005-09-07 | — | — | EP | disclosed |
| US-6525036-B2 | Treating post-menopausal osteoporosis. | MERCK & CO., INC. | 2003-02-25 | — | — | US | disclosed |
| EP-1248612-A1 | NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS | MERCK FROSST CANADA INC. (CA) | 2002-10-16 | — | — | EP | disclosed |
| WO-2002070519-A1 | MONOBACTAMS AS CATHEPSIN K INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2002-09-12 | — | — | WO | disclosed |
| US-20020052378-A1 | Novel compounds and compositions as protease inhibitors | Celera Corporation | 2002-05-02 | — | — | US | disclosed |
| WO-2001049288-A9 | NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS | MERCK FROSST CANADA INC (CA) | 2001-10-25 | — | — | WO | disclosed |
| WO-2001049288-A1 | NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS | MERCK FROSST CANADA & CO. (CA) | 2001-07-12 | — | — | WO | disclosed |