⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28745302 | 0.85 | — | — | |
| SCHEMBL28675418 | 0.80 | TSHR (0.31) | — | |
| SCHEMBL3013919 | 0.79 | — | — | |
| SCHEMBL9444821 | 0.79 | — | — | |
| SCHEMBL3014258 | 0.79 | — | — | |
| SCHEMBL23824952 | 0.79 | — | — | |
| SCHEMBL23824973 | 0.79 | — | — | |
| SCHEMBL23824984 | 0.79 | — | — | |
| SCHEMBL23824936 | 0.79 | — | — | |
| SCHEMBL23825051 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0254540-A2 | Glycerol derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1988-01-27 | — | — | EP | disclosed |