⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28058607 | 0.87 | — | — | |
| SCHEMBL28080418 | 0.87 | — | — | |
| SCHEMBL28309251 | 0.75 | — | — | |
| SCHEMBL28075867 | 0.75 | — | — | |
| SCHEMBL27032785 | 0.75 | — | — | |
| Hydrogen Sulfide SCHEMBL28068671 | 0.75 | — | — | |
| SCHEMBL31039571 | 0.75 | — | — | |
| SCHEMBL27737845 | 0.75 | — | — | |
| SCHEMBL4085678 | 0.71 | — | — | |
| SCHEMBL180230 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0483286-A4 | METHOD OF REMOVING IONS | — | 1992-07-01 | — | — | EP | disclosed |
| EP-0483286-A1 | METHOD OF REMOVING IONS | IONEX (US) | 1992-05-06 | — | — | EP | disclosed |
| WO-1991001392-A1 | METHOD OF REMOVING IONS | IONEX (US) | 1991-02-07 | — | — | WO | disclosed |