⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24105302 | 1.00 | — | — | |
| SCHEMBL8225093 | 1.00 | — | — | |
| SCHEMBL13201852 | 1.00 | — | — | |
| SCHEMBL18649194 | 1.00 | — | — | |
| SCHEMBL13201869 | 1.00 | — | — | |
| SCHEMBL8219704 | 0.95 | ALDH1A1 (0.32) | — | |
| SCHEMBL18374424 | 0.95 | ALDH1A1 (0.32) | — | |
| SCHEMBL15222067 | 0.95 | ALDH1A1 (0.32) | — | |
| SCHEMBL24104956 | 0.93 | ALDH1A1 (0.30) | — | |
| SCHEMBL21159481 | 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-2023125825-A1 | ANTICORONVIRAL COMPOUNDS AND COMPOSITIONS AND USES THEREOF | SHANGHAI CUREGENE PHARMACEUTICAL CO., LTD. (CN) | 2023-07-06 | — | — | WO | disclosed |