⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6747671 | 0.74 | CTSC (0.36) | — | |
| SCHEMBL6747738 | 0.73 | CTSC (0.38) | — | |
| SCHEMBL6747670 | 0.69 | — | — | |
| SCHEMBL6753437 | 0.65 | CTSS (0.56) | — | |
| SCHEMBL6749700 | 0.63 | CTSS (0.42) | — | |
| SCHEMBL6986891 | 0.60 | — | — | |
| SCHEMBL6749608 | 0.59 | — | — | |
| SCHEMBL14347626 | 0.53 | NAAA (0.40) | — | |
| Hydrochloric Acid SCHEMBL5627174 | 0.53 | NAAA (0.39) | — | |
| Hydrochloric Acid SCHEMBL5627163 | 0.53 | NAAA (0.39) | — |
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 |