⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1063328 | 0.84 | — | — | |
| SCHEMBL452396 | 0.78 | — | — | |
| SCHEMBL20547686 | 0.77 | TSHR (0.37) | — | |
| SCHEMBL2304852 | 0.74 | — | — | |
| SCHEMBL14716865 | 0.74 | TSHR (0.43) | — | |
| SCHEMBL27638466 | 0.72 | — | — | |
| SCHEMBL18074210 | 0.71 | TSHR (0.53) | — | |
| SCHEMBL4383237 | 0.71 | — | — | |
| SCHEMBL4611078 | 0.69 | — | — | |
| SCHEMBL230054 | 0.69 | — | — |
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-110746349-B | Preparation method of m-difluoroalkylphenoxypyridine compound | 安阳师范学院 | 2021-02-09 | — | — | CN | disclosed |
| CN-110746349-A | Preparation method of m-difluoroalkylphenoxypyridine compound | 安阳师范学院 | 2020-02-04 | — | — | CN | disclosed |