⚠ 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL28977648 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL27378724 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL28555305 | 0.87 | — | — | |
| SCHEMBL29044381 | 0.76 | — | — | |
| SCHEMBL29047346 | 0.75 | — | — | |
| SCHEMBL28671426 | 0.67 | — | — | |
| SCHEMBL28715896 | 0.67 | — | — | |
| SCHEMBL5831824 | 0.67 | — | — | |
| SCHEMBL329130 | 0.65 | — | — | |
| SCHEMBL13822604 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-108530363-A | Glyoxaline ion liquid, il electrolyte and preparation method and application | 河北工业大学 | 2018-09-14 | — | — | CN | disclosed |