⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24960974 | 0.91 | CTSL (0.62) | — | |
| SCHEMBL25866851 | 0.86 | CTSL (0.55) | — | |
| SCHEMBL28732952 | 0.86 | — | — | |
| SCHEMBL30819697 | 0.85 | CTSL (0.75) | — | |
| SCHEMBL24256979 | 0.85 | CTSL (0.75) | — | |
| SCHEMBL25809322 | 0.85 | CTSL (0.75) | — | |
| SCHEMBL24960971 | 0.85 | CTSL (0.61) | — | |
| SCHEMBL30887835 | 0.85 | CTSL (0.61) | — | |
| SCHEMBL24112976 | 0.83 | CTSL (0.60) | — | |
| SCHEMBL24740571 | 0.83 | CTSL (0.60) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230212152-A1 | INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF | Pardes Biosciences, Inc. | 2023-07-06 | — | — | US | disclosed |
| US-11524940-B1 | Inhibitors of cysteine proteases and methods of use thereof | Pardes Biosciences, Inc. (US) | 2022-12-13 | — | — | US | disclosed |