⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6039939 | 0.77 | — | — | |
| SCHEMBL722813 | 0.75 | — | — | |
| SCHEMBL2142444 | 0.75 | ECE1 (0.32) | — | |
| SCHEMBL5049589 | 0.75 | ECE1 (0.32) | — | |
| SCHEMBL3979325 | 0.73 | — | — | |
| SCHEMBL14759463 | 0.73 | — | — | |
| SCHEMBL9056141 | 0.73 | — | — | |
| SCHEMBL4604004 | 0.73 | — | — | |
| SCHEMBL638004 | 0.73 | — | — | |
| SCHEMBL636641 | 0.73 | — | — |
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-2011093352-A1 | THIAZOLE DERIVATIVE | 武田薬品工業株式会社 (JP) | 2011-08-04 | — | — | WO | disclosed |