⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27174690 | 0.84 | — | — | |
| SCHEMBL13931599 | 0.76 | — | — | |
| SCHEMBL13006648 | 0.74 | — | — | |
| SCHEMBL18030014 | 0.74 | — | — | |
| SCHEMBL26989070 | 0.73 | — | — | |
| SCHEMBL26989069 | 0.72 | — | — | |
| SCHEMBL30094204 | 0.70 | — | — | |
| SCHEMBL17971808 | 0.70 | — | — | |
| SCHEMBL12094539 | 0.69 | — | — | |
| SCHEMBL26989071 | 0.69 | — | — |
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 |