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 | |
|---|---|---|---|---|
| Iodide SCHEMBL9305759 | 0.94 | THRA (0.42) | — | |
| Iodide SCHEMBL9306244 | 0.90 | THRA (0.43) | — | |
| Iodide SCHEMBL9304938 | 0.89 | — | — | |
| Iodide SCHEMBL9308469 | 0.84 | ATM (0.48) | — | |
| Iodide SCHEMBL9307208 | 0.84 | ATM (0.48) | — | |
| Iodide SCHEMBL9308940 | 0.83 | — | — | |
| Iodide SCHEMBL9306908 | 0.82 | THRA (0.42) | — | |
| Iodide SCHEMBL9306033 | 0.82 | ATM (0.46) | — | |
| Iodide SCHEMBL9305626 | 0.81 | THRA (0.44) | — | |
| Iodide SCHEMBL9308226 | 0.81 | THRA (0.44) | — |
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-5328921-A | Antagonist of platelet activating factor | AMERICAN CYANAMID COMPANY (US) | 1994-07-12 | — | — | US | disclosed |