⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8015406 | 1.00 | — | — | |
| SCHEMBL5151053 | 0.85 | FFAR4 (0.50) | — | |
| SCHEMBL10614825 | 0.83 | TET2 (0.60) | — | |
| SCHEMBL29086772 | 0.81 | FFAR4 (0.62) | — | |
| SCHEMBL27659038 | 0.80 | TET2 (0.57) | — | |
| SCHEMBL328731 | 0.77 | — | — | |
| SCHEMBL23927578 | 0.76 | — | — | |
| SCHEMBL8655218 | 0.76 | — | — | |
| SCHEMBL326464 | 0.76 | — | — | |
| SCHEMBL214635 | 0.76 | SLC22A6 (0.63) | — |
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-112367987-A | Active agents and methods for their use in treating metabolic disorders and non-alcoholic fatty liver disease | 旗舰创业创新五公司 | 2021-02-12 | — | — | CN | disclosed |