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 | |
|---|---|---|---|---|
| SCHEMBL1239374 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL394061 | 0.93 | — | — | |
| SCHEMBL17800110 | 0.93 | — | — | |
| Water SCHEMBL999492 | 0.93 | — | — | |
| Bromide SCHEMBL2228581 | 0.93 | — | — | |
| Iodide SCHEMBL5091737 | 0.85 | — | — | |
| SCHEMBL27279072 | 0.81 | — | — | |
| SCHEMBL1074305 | 0.81 | — | — | |
| Acetic Acid SCHEMBL25280990 | 0.81 | MEN1 (0.35) | — | |
| Iodide SCHEMBL5086947 | 0.81 | ALDH1A1 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20080214386-A1 | Stability; easily separated from solution; surface treatment of catalyst with Group seven compound; reacting epoxide with carbon dioxide | NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) | 2008-09-04 | — | — | US | disclosed |