⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24013915 | 0.93 | — | — | |
| SCHEMBL24015171 | 0.93 | — | — | |
| SCHEMBL25758061 | 0.92 | — | — | |
| SCHEMBL25758125 | 0.87 | — | — | |
| SCHEMBL24014439 | 0.86 | CTSV (0.62) | — | |
| SCHEMBL25757716 | 0.86 | CTSV (0.62) | — | |
| SCHEMBL25758173 | 0.86 | CTSV (0.62) | — | |
| SCHEMBL24013910 | 0.86 | — | — | |
| SCHEMBL25757904 | 0.86 | — | — | |
| SCHEMBL25757653 | 0.85 | — | — |
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-2021226546-A1 | PROTEASE INHIBITORS FOR TREATMENT OR PREVENTION OF CORONAVIRUS DISEASE | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) | 2021-11-11 | — | — | WO | disclosed |