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 | |
|---|---|---|---|---|
| SCHEMBL27978570 | 0.98 | — | — | |
| Water SCHEMBL27978569 | 0.96 | — | — | |
| SCHEMBL28371969 | 0.84 | GRM2 (0.35) | — | |
| Iodide SCHEMBL27978571 | 0.83 | GRM2 (0.42) | — | |
| SCHEMBL27978567 | 0.81 | GRM2 (0.43) | — | |
| Water SCHEMBL28114129 | 0.80 | GRM2 (0.42) | — | |
| Iodide SCHEMBL27978826 | 0.76 | — | — | |
| SCHEMBL27978619 | 0.73 | — | — | |
| SCHEMBL17816398 | 0.72 | MEN1 (0.31) | — | |
| Water SCHEMBL28114168 | 0.72 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104159849-B | Molecular screen material, its synthetic and purposes | 埃克森美孚化学专利公司 | 2017-01-11 | — | — | CN | disclosed |
| CN-104159849-A | MOLECULAR SIEVE MATERIAL, ITS SYNTHESIS AND USE | EXXONMOBIL CHEM PATENTS INC | 2014-11-19 | — | — | CN | disclosed |