⚠ 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 | |
|---|---|---|---|---|
| Dithioerythriol SCHEMBL10602 | 0.97 | — | — | |
| Dithioerythriol SCHEMBL15611744 | 0.97 | — | — | |
| Dithioerythriol SCHEMBL78922 | 0.97 | — | — | |
| Dithioerythriol SCHEMBL9773254 | 0.94 | — | — | |
| Dithioerythriol SCHEMBL8423593 | 0.94 | — | — | |
| Dithioerythriol SCHEMBL3380453 | 0.89 | LMNA (0.39) | — | |
| Dithioerythriol SCHEMBL7523387 | 0.83 | PDE4A (0.37) | — | |
| Dithioerythriol SCHEMBL16566794 | 0.83 | PDE4A (0.37) | — | |
| Dithioerythriol SCHEMBL9109286 | 0.83 | PDE4A (0.37) | — | |
| Dithioerythriol SCHEMBL7113064 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010062267-A1 | METHOD OF FORMING A RARE EARTH METAL DOPED NANOPARTICLE | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2010-06-03 | — | — | WO | disclosed |