⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9075652 | 0.77 | SNCA (0.40) | — | |
| SCHEMBL288700 | 0.76 | — | — | |
| SCHEMBL6150087 | 0.75 | JUN (0.45) | — | |
| SCHEMBL6150084 | 0.75 | JUN (0.45) | — | |
| SCHEMBL1515220 | 0.74 | — | — | |
| SCHEMBL28016850 | 0.74 | — | — | |
| SCHEMBL27551922 | 0.73 | SNCA (0.35) | — | |
| SCHEMBL2470160 | 0.72 | — | — | |
| SCHEMBL8202649 | 0.72 | CYP3A4 (0.48) | — | |
| 4-Formylpyridine SCHEMBL28111835 | 0.70 | ALDH1A1 (0.46) | — |
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-1070703-A1 | Cyclobutene derivatives | Sankyo Company Limited (JP) | 2001-01-24 | — | — | EP | disclosed |