⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6747733 | 0.99 | — | — | |
| SCHEMBL6751307 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL6701368 | 0.69 | — | — | |
| SCHEMBL7168993 | 0.69 | — | — | |
| SCHEMBL6700230 | 0.68 | — | — | |
| SCHEMBL7099420 | 0.64 | — | — | |
| SCHEMBL4452949 | 0.64 | — | — | |
| SCHEMBL7206215 | 0.63 | — | — | |
| SCHEMBL4449316 | 0.63 | — | — | |
| SCHEMBL4458874 | 0.63 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040127549-A1 | Cyclic 2-carbonylaminoketones as inhibitors of cruzipain and other cysteine proteases | AMURA THERAPEUTICS LIMITED (GB) | 2004-07-01 | — | — | US | disclosed |