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 | |
|---|---|---|---|---|
| SCHEMBL196050 | 0.82 | — | — | |
| Iodide SCHEMBL8377888 | 0.82 | — | — | |
| Iodide SCHEMBL4339173 | 0.82 | — | — | |
| Iodide SCHEMBL5481426 | 0.82 | — | — | |
| Iodide SCHEMBL320753 | 0.82 | — | — | |
| SCHEMBL5691740 | 0.82 | — | — | |
| Iodide SCHEMBL336803 | 0.82 | — | — | |
| SCHEMBL23700866 | 0.67 | — | — | |
| SCHEMBL17077292 | 0.67 | — | — | |
| Phosphine SCHEMBL11076631 | 0.67 | — | — |
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-4760171-A | Reacting methanol, carbon monoxide and hydrogen in presence of cobalt phosphine carbonyl complex catalyst | AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) | 1988-07-26 | — | — | US | disclosed |
| US-4490559-A | SYNTHESIS GAS AND A GROUP VII COMPOUND CATALYST | SHELL OIL COMPANY (US) | 1984-12-25 | — | — | US | disclosed |
| US-4447648-A | USING SYNTHESIS GAS AND A GROUP VIII COMPOUND | UNION CARBIDE CORPORATION (US) | 1984-05-08 | — | — | US | disclosed |