⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24113160 | 1.00 | — | — | |
| SCHEMBL24112260 | 0.87 | — | — | |
| SCHEMBL29062844 | 0.87 | — | — | |
| SCHEMBL24112836 | 0.87 | — | — | |
| SCHEMBL25781774 | 0.87 | — | — | |
| SCHEMBL24113161 | 0.86 | — | — | |
| SCHEMBL24113159 | 0.85 | — | — | |
| SCHEMBL30001772 | 0.85 | CTSL (0.43) | — | |
| SCHEMBL24960455 | 0.85 | CTSL (0.43) | — | |
| SCHEMBL24113189 | 0.83 | CTSV (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116685576-A | Cysteine protease inhibitors and methods of use thereof | 美商帕迪斯生物科学公司 | 2023-09-01 | — | — | CN | disclosed |