⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23836452 | 1.00 | — | — | |
| SCHEMBL23824589 | 0.94 | — | — | |
| SCHEMBL23824599 | 0.94 | — | — | |
| SCHEMBL23824601 | 0.94 | — | — | |
| SCHEMBL25284029 | 0.92 | CTSL (0.43) | — | |
| SCHEMBL24020503 | 0.92 | CTSL (0.43) | — | |
| SCHEMBL25284030 | 0.92 | CTSL (0.43) | — | |
| SCHEMBL23782042 | 0.92 | NFKB1 (0.43) | — | |
| SCHEMBL6530320 | 0.92 | NFKB1 (0.43) | — | |
| SCHEMBL14838051 | 0.92 | NFKB1 (0.43) | — |
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 |