⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8723241 | 0.79 | — | — | |
| SCHEMBL8720188 | 0.70 | — | — | |
| SCHEMBL8721289 | 0.70 | — | — | |
| SCHEMBL8930694 | 0.67 | — | — | |
| SCHEMBL8930786 | 0.64 | — | — | |
| SCHEMBL8930683 | 0.62 | — | — | |
| Methyl Alcohol SCHEMBL8930703 | 0.60 | TSHR (0.50) | — | |
| SCHEMBL8930698 | 0.60 | — | — | |
| SCHEMBL8930675 | 0.59 | — | — | |
| SCHEMBL8930709 | 0.58 | ALDH1A1 (0.40) | — |
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-0662004-B1 | USE OF PERSISTENT FREE-RADICALS IN MAGNETIC RESONANCE IMAGING | NYCOMED INNOVATION AB (SE) | 1998-03-18 | — | — | EP | disclosed |