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 SCHEMBL1846612 | 1.00 | — | — | |
| Iodide SCHEMBL49214 | 1.00 | — | — | |
| Iodide SCHEMBL9418876 | 1.00 | — | — | |
| Iodide SCHEMBL16049530 | 1.00 | — | — | |
| Iodide SCHEMBL11591724 | 0.82 | — | — | |
| Iodide SCHEMBL8469346 | 0.82 | — | — | |
| Iodide SCHEMBL16581612 | 0.82 | — | — | |
| Iodide SCHEMBL2565477 | 0.82 | — | — | |
| Iodide SCHEMBL22722984 | 0.82 | — | — | |
| Iodide SCHEMBL11848718 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4267244-A | ONE LAYER CONTAINS ELECTRONIC CONDUCTOR | UNION CARBIDE CORPORATION (US) | 1981-05-12 | — | — | US | disclosed |
| US-4263382-A | POLYVINYLPYRROLIDONE AND HALIGEN | UNION CARBIDE CORPORATION (US) | 1981-04-21 | — | — | US | disclosed |
| US-4243732-A | HALOGEN-PITCH REACTION PRODUCT | UNION CARBIDE CORPORATION (US) | 1981-01-06 | — | — | US | disclosed |