⚠ 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL28096486 | 0.98 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL28096482 | 0.89 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL18445851 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL9659926 | 0.82 | SMN1; SMN2 (0.43) | — | |
| SCHEMBL14737917 | 0.77 | — | — | |
| SCHEMBL27375727 | 0.77 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL24152748 | 0.76 | — | — | |
| Iodide SCHEMBL30442896 | 0.76 | KDM4E (0.46) | — | |
| Hydrochloric Acid SCHEMBL14737787 | 0.76 | KDM4E (0.46) | — | |
| Bromide SCHEMBL28272602 | 0.76 | KDM4E (0.46) | — |
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-105949129-B | A kind of imidazoles bromide ionic liquid and its preparation method and application with amino | 辽宁大学 | 2019-02-19 | — | — | CN | claimed |