⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL42405 | 0.91 | — | — | |
| SCHEMBL6248387 | 0.91 | — | — | |
| SCHEMBL31315601 | 0.83 | — | — | |
| SCHEMBL38657385 | 0.83 | — | — | |
| SCHEMBL30485905 | 0.83 | — | — | |
| Potassium Ion SCHEMBL38657855 | 0.83 | — | — | |
| Lithium Ion SCHEMBL38657499 | 0.83 | — | — | |
| Potassium Ion SCHEMBL31544763 | 0.83 | — | — | |
| SCHEMBL22687583 | 0.83 | — | — | |
| SCHEMBL4413758 | 0.83 | — | — |
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-0804389-B1 | OPTICAL GLASS WITH VARYING REFRACTIVE INDEX | RODENSTOCK OPTIK G (DE) | 2001-04-18 | — | — | EP | disclosed |