⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7285717 | 0.93 | ADH1B (0.47) | — | |
| SCHEMBL7284358 | 0.84 | — | — | |
| SCHEMBL270382 | 0.79 | — | — | |
| SCHEMBL3485194 | 0.79 | — | — | |
| SCHEMBL3484833 | 0.79 | — | — | |
| Butane SCHEMBL10433974 | 0.77 | TSHR (0.52) | — | |
| SCHEMBL8026999 | 0.77 | — | — | |
| SCHEMBL29109063 | 0.77 | — | — | |
| SCHEMBL16234314 | 0.76 | TRPA1 (0.53) | — | |
| SCHEMBL1785819 | 0.76 | TRPA1 (0.53) | — |
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-0254241-A1 | Pyrazolopyridine compounds, their preparation and use | Yoshitomi Pharmaceutical Industries, Ltd. (JP) | 1988-01-27 | — | — | EP | disclosed |