⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24938551 | 0.85 | — | — | |
| SCHEMBL24710048 | 0.83 | — | — | |
| SCHEMBL24962696 | 0.81 | PEPD (0.36) | — | |
| SCHEMBL20642426 | 0.79 | DPP4 (0.30) | — | |
| SCHEMBL12868927 | 0.68 | — | — | |
| SCHEMBL17792795 | 0.67 | ACE (0.38) | — | |
| SCHEMBL24420999 | 0.67 | ACE (0.38) | — | |
| SCHEMBL24962687 | 0.67 | — | — | |
| SCHEMBL23194391 | 0.66 | DPP4 (0.31) | — | |
| SCHEMBL18027861 | 0.66 | GRIK1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022261473-A1 | PROTEASE INHIBITORS FOR THE TREATMENT OF CORONAVIRUS INFECTIONS | THE SCRIPPS RESEARCH INSTITUTE (US) | 2022-12-15 | — | — | WO | disclosed |