⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24019608 | 0.76 | PSMB5 (0.30) | — | |
| SCHEMBL23835749 | 0.76 | PSMB5 (0.30) | — | |
| SCHEMBL24635070 | 0.64 | — | — | |
| SCHEMBL24029106 | 0.63 | ACE (0.31) | — | |
| SCHEMBL10013231 | 0.63 | HSD11B1 (0.31) | — | |
| SCHEMBL24029303 | 0.62 | KDM4E (0.31) | — | |
| SCHEMBL30927137 | 0.62 | — | — | |
| SCHEMBL1182537 | 0.61 | CYP19A1 (0.33) | — | |
| SCHEMBL23836092 | 0.60 | HSD11B1 (0.35) | — | |
| SCHEMBL23835798 | 0.60 | HSD11B1 (0.35) | — |
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-20230192663-A1 | INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF | Pardes Biosciences, Inc. | 2023-06-22 | — | — | US | disclosed |