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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28520762 | 0.87 | — | — | |
| Iodide SCHEMBL4600394 | 0.82 | — | — | |
| Iodide SCHEMBL4074560 | 0.82 | — | — | |
| Iodide SCHEMBL28672136 | 0.82 | — | — | |
| Iodide SCHEMBL6554 | 0.82 | — | — | |
| Iodide SCHEMBL20580954 | 0.82 | — | — | |
| SCHEMBL286246 | 0.82 | — | — | |
| Iodide SCHEMBL16049530 | 0.82 | — | — | |
| Iodide SCHEMBL1846612 | 0.82 | — | — | |
| Iodide SCHEMBL28508874 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5905175-A | Synthesis and purification of 3,3-dimethylbutyraldehyde via oxidation of 1-chloro-3,3-dimethylbutane with dimethyl sulfoxide | THE NUTRASWEET COMPANY (US) | 1999-05-18 | — | — | US | claimed |