⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6956963 | 0.81 | MMP1 (0.35) | — | |
| SCHEMBL6753432 | 0.76 | HDAC8 (0.45) | — | |
| SCHEMBL6751311 | 0.74 | MME (0.36) | — | |
| SCHEMBL6749596 | 0.74 | ALDH1A1 (0.42) | — | |
| SCHEMBL6749636 | 0.72 | SLC7A5 (0.42) | — | |
| SCHEMBL6751806 | 0.67 | CTSL (0.54) | — | |
| SCHEMBL6988397 | 0.66 | CTSL (0.43) | — | |
| SCHEMBL6988426 | 0.66 | CTSL (0.41) | — | |
| SCHEMBL6747731 | 0.65 | CTSL (0.42) | — | |
| SCHEMBL6753529 | 0.65 | ESRRG (0.34) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |