⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18112595 | 0.82 | TSHR (0.33) | — | |
| SCHEMBL4664592 | 0.79 | TSHR (0.32) | — | |
| SCHEMBL4664595 | 0.79 | TSHR (0.32) | — | |
| SCHEMBL5986810 | 0.73 | — | — | |
| SCHEMBL5986806 | 0.73 | — | — | |
| SCHEMBL3116666 | 0.72 | — | — | |
| SCHEMBL18904221 | 0.72 | — | — | |
| SCHEMBL11852334 | 0.67 | TSHR (0.37) | — | |
| SCHEMBL15225167 | 0.67 | TSHR (0.44) | — | |
| SCHEMBL19302203 | 0.67 | PDF (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011002772-A1 | IMIDAZOPYRIDINE DERIVATIVES AND PBK INHIBITORS CONTAINING THE SAME | ONCOTHERAPY SCIENCE, INC. (JP) | 2011-01-06 | — | — | WO | disclosed |