Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
The experimentally established mechanism targets of Iodide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3731943 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL6133279 | 0.96 | — | — | |
| Glycinebetaine SCHEMBL7172306 | 0.81 | — | — | |
| Iodide SCHEMBL28108740 | 0.79 | LMNA (0.38) | — | |
| SCHEMBL3001586 | 0.78 | — | — | |
| SCHEMBL26015686 | 0.77 | BAZ2B (0.33) | — | |
| SCHEMBL27657399 | 0.75 | — | — | |
| SCHEMBL17628518 | 0.73 | — | — | |
| SCHEMBL4618987 | 0.73 | — | — | |
| SCHEMBL31282201 | 0.73 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109734659-A | A kind of preparation method of 4- carboxy-N-methyl pyridine iodide | 山西医科大学 | 2019-05-10 | — | — | CN | claimed |
| CN-109734659-A | A kind of preparation method of 4- carboxy-N-methyl pyridine iodide | 山西医科大学 | 2019-05-10 | — | — | CN | disclosed |
| CN-109734659-A | A kind of preparation method of 4- carboxy-N-methyl pyridine iodide | 山西医科大学 | 2019-05-10 | — | — | CN | disclosed |
| CN-109734659-A | A kind of preparation method of 4- carboxy-N-methyl pyridine iodide | 山西医科大学 | 2019-05-10 | — | — | CN | disclosed |