⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28702490 | 0.79 | TSHR (0.37) | — | |
| SCHEMBL468058 | 0.79 | TSHR (0.37) | — | |
| SCHEMBL1268596 | 0.79 | — | — | |
| Iodide SCHEMBL10567947 | 0.77 | TSHR (0.36) | — | |
| Water SCHEMBL28685341 | 0.77 | TSHR (0.36) | — | |
| Bromide SCHEMBL22206792 | 0.76 | TSHR (0.32) | — | |
| Fluoride SCHEMBL22206791 | 0.76 | TSHR (0.32) | — | |
| SCHEMBL3449675 | 0.74 | BAZ2B (0.33) | — | |
| Cyanide SCHEMBL22191188 | 0.73 | TSHR (0.30) | — | |
| Iodide SCHEMBL28802571 | 0.73 | CHRM3 (0.45) | — |
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-1717229-B1 | NOVEL CYCLIC COMPOUND HAVING 4-PYRIDYLALKYLTHIO GROUP HAVING (UN)SUBSTITUTED AMINO INTRODUCED THEREIN | SANTEN PHARMACEUTICAL CO LTD (JP) | 2011-06-15 | — | — | EP | disclosed |