⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15251642 | 1.00 | — | — | |
| SCHEMBL15604717 | 0.83 | — | — | |
| SCHEMBL24857315 | 0.81 | — | — | |
| SCHEMBL765431 | 0.80 | — | — | |
| SCHEMBL25464732 | 0.80 | — | — | |
| SCHEMBL2627410 | 0.80 | — | — | |
| SCHEMBL15250384 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL21598909 | 0.78 | AOC1 (0.30) | — | |
| SCHEMBL5402986 | 0.77 | TSHR (0.30) | — | |
| SCHEMBL2627114 | 0.77 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7687524-B2 | Cathepsin cysteine protease inhibitors | MERCK FROSST CANADA & CO. (CA) | 2010-03-30 | — | — | US | disclosed |
| US-20090176859-A1 | Cathepsin cysteine protease inhibitors | MERCK FROSST CANADA, LTD. (CA) | 2009-07-09 | — | — | US | disclosed |
| US-20090176861-A1 | Cathepsin cysteine protease inhibitors | MERCK FROSST CANADA LTD. (CA) | 2009-07-09 | — | — | US | disclosed |
| US-20070099893-A1 | Cathepsin cysteine protease inhibitors | MERCK CANADA INC. (CA) | 2007-05-03 | — | — | US | disclosed |