⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25757682 | 1.00 | — | — | |
| SCHEMBL30502447 | 0.88 | CTSB (0.53) | — | |
| SCHEMBL24013951 | 0.85 | — | — | |
| SCHEMBL30502446 | 0.85 | CTSB (0.53) | — | |
| SCHEMBL30251878 | 0.83 | — | — | |
| SCHEMBL30817169 | 0.83 | CTSB (0.57) | — | |
| SCHEMBL30502443 | 0.82 | CTSB (0.66) | — | |
| SCHEMBL30395960 | 0.82 | — | — | |
| SCHEMBL31376790 | 0.80 | — | — | |
| SCHEMBL25757604 | 0.80 | — | — |
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-20230192660-A1 | Protease Inhibitors for Treatment or Prevention of Coronavirus Disease | UNIV LELAND STANFORD JUNIOR (US) | 2023-06-22 | — | — | US | disclosed |