⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1611850 | 0.97 | — | — | |
| SCHEMBL2813619 | 0.90 | — | — | |
| SCHEMBL19932987 | 0.75 | — | — | |
| SCHEMBL3961037 | 0.71 | ADH1A (0.33) | — | |
| SCHEMBL3961034 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL22406169 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL21423699 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL22917022 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL22406167 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL575824 | 0.67 | ALDH1A1 (0.33) | — |
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-115484960-A | Treatment of viral infections | 萨法格尼斯股份有限公司 | 2022-12-16 | — | — | CN | disclosed |