⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9696965 | 1.00 | — | — | |
| SCHEMBL122004 | 0.97 | — | — | |
| SCHEMBL11324 | 0.88 | — | — | |
| SCHEMBL250419 | 0.88 | — | — | |
| Cyclopentene SCHEMBL28923216 | 0.77 | — | — | |
| Tetrahydrothiophene SCHEMBL6424888 | 0.74 | — | — | |
| SCHEMBL14698470 | 0.74 | — | — | |
| SCHEMBL37711 | 0.74 | — | — | |
| SCHEMBL3563718 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL30951770 | 0.71 | — | — |
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-0478964-A1 | Pyrazoloquinoline derivatives | SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) | 1992-04-08 | — | — | EP | disclosed |