⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL46068 | 0.97 | — | — | |
| Lithium SCHEMBL31634828 | 0.94 | — | — | |
| Calcium SCHEMBL30613788 | 0.94 | — | — | |
| Bromide SCHEMBL30859647 | 0.94 | — | — | |
| SCHEMBL23700061 | 0.90 | — | — | |
| SCHEMBL26967 | 0.90 | — | — | |
| SCHEMBL23700075 | 0.90 | — | — | |
| SCHEMBL25309076 | 0.88 | — | — | |
| SCHEMBL5888732 | 0.88 | — | — | |
| SCHEMBL30066034 | 0.88 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20160031910-A1 | LANTHANIDE COMPLEXES COMPRISING AT LEAST TWO BETAINE GROUPS, WHICH CAN BE USED AS LUMINESCENT MARKERS | ECOLE NORMALE SUPERIEURE DE LYON (FR) | 2016-02-04 | — | — | US | disclosed |