⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27489259 | 1.00 | — | — | |
| SCHEMBL128084 | 1.00 | — | — | |
| SCHEMBL10590366 | 1.00 | — | — | |
| SCHEMBL5312551 | 1.00 | — | — | |
| SCHEMBL127312 | 0.82 | — | — | |
| SCHEMBL352584 | 0.82 | — | — | |
| SCHEMBL22445011 | 0.82 | — | — | |
| SCHEMBL22445013 | 0.82 | — | — | |
| SCHEMBL614877 | 0.82 | — | — | |
| Bromide SCHEMBL17139849 | 0.82 | — | — |
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-4670498-A | CONTAINING SODIUM, POTASSIUM, CALCIUM OR ALUMINUM ALCOHOLATE | TOYO BOSEKI KABUSHIKI KAISHA (JP) | 1987-06-02 | — | — | US | disclosed |