⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9013055 | 0.81 | — | — | |
| SCHEMBL9012729 | 0.81 | — | — | |
| SCHEMBL8416325 | 0.81 | — | — | |
| SCHEMBL7611956 | 0.72 | — | — | |
| SCHEMBL8924200 | 0.72 | — | — | |
| SCHEMBL16628461 | 0.72 | ALDH1A1 (0.41) | — | |
| SCHEMBL7264968 | 0.66 | ALDH1A1 (0.48) | — | |
| SCHEMBL502747 | 0.66 | ALDH1A1 (0.48) | — | |
| SCHEMBL185680 | 0.65 | ALDH1A1 (0.36) | — | |
| SCHEMBL19994041 | 0.65 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109071429-B | Prophyridine sulfonamide compounds and methods of use thereof | 正大天晴药业集团股份有限公司 | 2021-04-02 | — | — | CN | disclosed |
| CN-106496090-B | Therapeutically active compounds and methods of use thereof | 安吉奥斯医药品有限公司 | 2020-04-21 | — | — | CN | disclosed |