⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25075786 | 1.00 | — | — | |
| SCHEMBL25075887 | 0.95 | CTSV (0.49) | — | |
| SCHEMBL25075925 | 0.85 | CTSV (0.38) | — | |
| SCHEMBL25075797 | 0.85 | CTSV (0.38) | — | |
| SCHEMBL25075921 | 0.85 | CTSV (0.39) | — | |
| SCHEMBL25075787 | 0.85 | CTSV (0.40) | — | |
| SCHEMBL25075788 | 0.85 | CTSV (0.39) | — | |
| SCHEMBL25075922 | 0.85 | CTSV (0.40) | — | |
| SCHEMBL25075877 | 0.84 | CTSV (0.40) | — | |
| SCHEMBL24740272 | 0.84 | CTSV (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023023631-A1 | INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF | Pardes Biosciences, Inc. (US) | 2023-02-23 | — | — | WO | disclosed |