⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2299297 | 0.67 | — | — | |
| SCHEMBL3960685 | 0.61 | — | — | |
| SCHEMBL8516498 | 0.61 | — | — | |
| SCHEMBL691199 | 0.61 | — | — | |
| SCHEMBL18281477 | 0.61 | — | — | |
| SCHEMBL3264915 | 0.61 | — | — | |
| SCHEMBL1071696 | 0.59 | — | — | |
| Zinc Ion SCHEMBL11229022 | 0.59 | — | — | |
| SCHEMBL5053289 | 0.56 | — | — | |
| SCHEMBL151241 | 0.56 | — | — |
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-111943858-B | Functionalized ionic liquid with anions containing carboxyl and sulfhydryl functional groups, and preparation method and application thereof | 中国药科大学 | 2023-05-12 | — | — | CN | disclosed |