⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6705788 | 0.68 | ALDH1A1 (0.30) | — | |
| SCHEMBL7142736 | 0.64 | — | — | |
| SCHEMBL4789317 | 0.62 | — | — | |
| SCHEMBL6705302 | 0.60 | GAA (0.32) | — | |
| SCHEMBL6706251 | 0.60 | — | — | |
| SCHEMBL27509989 | 0.59 | ALDH1A1 (0.32) | — | |
| SCHEMBL8608436 | 0.58 | PRSS1 (0.33) | — | |
| SCHEMBL4788910 | 0.57 | ALDH1A1 (0.36) | — | |
| SCHEMBL8585732 | 0.57 | PRSS1 (0.34) | — | |
| SCHEMBL6706258 | 0.56 | ALDH1A1 (0.30) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2004522738-A | — | — | 2004-07-29 | — | — | JP | claimed |
| US-20040127549-A1 | Cyclic 2-carbonylaminoketones as inhibitors of cruzipain and other cysteine proteases | AMURA THERAPEUTICS LIMITED (GB) | 2004-07-01 | — | — | US | claimed |
| EP-1362042-A1 | CYCLIC 2-CARBONYLAMINOKETONES AS INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES | Amura Therapeutics Limited (GB) | 2003-11-19 | — | — | EP | claimed |
| WO-2002057249-A1 | CYCLIC 2-CARBONYLAMINOKETONES AS INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES | AMURA THERAPEUTICS LIMITED (GB) | 2002-07-25 | — | — | WO | claimed |
| US-20040127549-A1 | Cyclic 2-carbonylaminoketones as inhibitors of cruzipain and other cysteine proteases | AMURA THERAPEUTICS LIMITED (GB) | 2004-07-01 | — | — | US | disclosed |
| EP-1362042-A1 | CYCLIC 2-CARBONYLAMINOKETONES AS INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES | Amura Therapeutics Limited (GB) | 2003-11-19 | — | — | EP | disclosed |
| WO-2002057249-A1 | CYCLIC 2-CARBONYLAMINOKETONES AS INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES | AMURA THERAPEUTICS LIMITED (GB) | 2002-07-25 | — | — | WO | disclosed |