⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6567520 | 0.79 | — | — | |
| SCHEMBL13859356 | 0.77 | TSHR (0.35) | — | |
| SCHEMBL11144145 | 0.76 | — | — | |
| SCHEMBL2572094 | 0.75 | — | — | |
| SCHEMBL9130540 | 0.74 | TSHR (0.36) | — | |
| SCHEMBL29023653 | 0.74 | — | — | |
| SCHEMBL3100125 | 0.74 | — | — | |
| SCHEMBL19416862 | 0.74 | TSHR (0.36) | — | |
| SCHEMBL9130536 | 0.74 | TSHR (0.36) | — | |
| SCHEMBL4947814 | 0.72 | TSHR (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109020825-B | Anti-influenza virus compound and preparation method thereof | 重庆医科大学 | 2021-03-19 | — | — | CN | disclosed |