⚠ 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 | |
|---|---|---|---|---|
| Fluoride SCHEMBL27857850 | 1.00 | — | — | |
| Fluoride SCHEMBL94093 | 1.00 | — | — | |
| Fluoride SCHEMBL1052079 | 1.00 | — | — | |
| Fluoride SCHEMBL10456092 | 0.82 | — | — | |
| Fluoride SCHEMBL1357475 | 0.82 | — | — | |
| Fluoride SCHEMBL7636362 | 0.82 | — | — | |
| Fluoride SCHEMBL3174878 | 0.82 | — | — | |
| Fluoride SCHEMBL2110808 | 0.82 | — | — | |
| Fluoride SCHEMBL9225153 | 0.82 | — | — | |
| Fluoride SCHEMBL1436470 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116574103-A | Imidazo [1,2-a ] pyridine fused 1, 3-benzodiazepine derivative and synthesis method thereof | 湖北科技学院 | 2023-08-11 | — | — | CN | disclosed |
| CN-115995598-A | Multifunctional sodium battery electrolyte additive and application thereof | 中国科学院物理研究所 | 2023-04-21 | — | — | CN | disclosed |
| CN-113773246-B | Preparation method of 2-substituted-4-trifluoromethylpyridine | 山东省农药科学研究院 | 2023-03-31 | — | — | CN | disclosed |