⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17279141 | 0.78 | — | — | |
| SCHEMBL17279139 | 0.78 | — | — | |
| SCHEMBL6447262 | 0.78 | — | — | |
| SCHEMBL15135177 | 0.75 | — | — | |
| SCHEMBL15135179 | 0.75 | — | — | |
| SCHEMBL368612 | 0.71 | — | — | |
| SCHEMBL25125907 | 0.69 | — | — | |
| SCHEMBL208709 | 0.69 | — | — | |
| SCHEMBL25125878 | 0.69 | — | — | |
| SCHEMBL17643862 | 0.69 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030229226-A1 | Cathepsin cysteine protease inhibitors | MERCK FROSST CANADA LTD. (CA) | 2003-12-11 | — | — | US | claimed |
| EP-1272467-A4 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK FROSST CANADA INC (CA) | 2003-05-07 | — | — | EP | claimed |
| EP-1272467-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK FROSST CANADA INC. (CA) | 2003-01-08 | — | — | EP | claimed |
| WO-2001077073-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK FROSST CANADA & CO. (CA) | 2001-10-18 | — | — | WO | claimed |
| WO-2021133894-A1 | BTK INHIBITORS | BIOGEN MA INC. (US) | 2021-07-01 | — | — | WO | disclosed |