⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2208045 | 0.66 | — | — | |
| SCHEMBL6688803 | 0.59 | PPARA (0.31) | — | |
| SCHEMBL635226 | 0.57 | — | — | |
| SCHEMBL15109050 | 0.56 | — | — | |
| SCHEMBL6869661 | 0.52 | — | — | |
| SCHEMBL16221808 | 0.52 | — | — | |
| SCHEMBL1075123 | 0.50 | — | — | |
| SCHEMBL6015422 | 0.49 | — | — | |
| SCHEMBL5376341 | 0.49 | — | — | |
| Lithium SCHEMBL6264089 | 0.48 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5312824-A | Certain 2-[(4-difluoromethoxy-2-pyridyl)-methylthio or methylsulfinyl-5-benzimidazoles useful for treating peptic ulcers | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1994-05-17 | — | — | US | disclosed |