⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25305703 | 1.00 | — | — | |
| SCHEMBL24939332 | 1.00 | — | — | |
| SCHEMBL30276942 | 0.94 | CTSL (0.43) | — | |
| SCHEMBL25855481 | 0.94 | CTSL (0.43) | — | |
| SCHEMBL24939091 | 0.92 | — | — | |
| SCHEMBL30276962 | 0.92 | — | — | |
| SCHEMBL24939394 | 0.92 | — | — | |
| SCHEMBL30276973 | 0.91 | CTSL (0.48) | — | |
| SCHEMBL24710026 | 0.91 | CTSL (0.48) | — | |
| SCHEMBL30277048 | 0.88 | CASP3 (0.54) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11708348-B2 | Protease inhibitors for treatment of coronavirus infections | THE SCRIPPS RESEARCH INSTITUTE (US) | 2023-07-25 | — | — | US | disclosed |