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 SCHEMBL8447860 | 0.87 | KCNH2 (0.31) | — | |
| Iodide SCHEMBL8452285 | 0.83 | HIF1A (0.31) | — | |
| SCHEMBL7760261 | 0.80 | — | — | |
| SCHEMBL8456718 | 0.74 | — | — | |
| SCHEMBL8079201 | 0.73 | POLB (0.37) | — | |
| SCHEMBL7762109 | 0.73 | — | — | |
| SCHEMBL7762122 | 0.73 | — | — | |
| SCHEMBL7762117 | 0.73 | — | — | |
| Iodide SCHEMBL13280558 | 0.72 | HIF1A (0.48) | — | |
| SCHEMBL8451929 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6004478-A | LIQUID CRYSTAL | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1999-12-21 | — | — | US | disclosed |
| EP-0732335-A1 | Novel silacyclohexane compounds, preparation thereof, liquid crystal compositions comprising the same, and liquid crystal devices comprising the composition | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1996-09-18 | — | — | EP | disclosed |