⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23836082 | 0.67 | HSD11B1 (0.32) | — | |
| SCHEMBL23836467 | 0.67 | HSD11B1 (0.32) | — | |
| SCHEMBL25838365 | 0.67 | — | — | |
| SCHEMBL24098589 | 0.66 | L3MBTL1 (0.31) | — | |
| SCHEMBL24029214 | 0.64 | PGR (0.39) | — | |
| SCHEMBL25560572 | 0.64 | PGR (0.39) | — | |
| SCHEMBL24252715 | 0.64 | TLR4 (0.34) | — | |
| SCHEMBL20239773 | 0.64 | PGR (0.39) | — | |
| SCHEMBL26640058 | 0.63 | — | — | |
| SCHEMBL24019944 | 0.63 | PSMD14 (0.31) | — |
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 |