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 SCHEMBL28959764 | 0.82 | — | — | |
| Iodide SCHEMBL28645309 | 0.82 | — | — | |
| Iodide SCHEMBL151914 | 0.82 | — | — | |
| SCHEMBL419790 | 0.82 | — | — | |
| SCHEMBL8762318 | 0.67 | — | — | |
| Iodide SCHEMBL3172527 | 0.67 | — | — | |
| Iodide SCHEMBL3176415 | 0.67 | — | — | |
| Iodide SCHEMBL16397665 | 0.67 | — | — | |
| Iodide SCHEMBL8861239 | 0.67 | — | — | |
| Iodide SCHEMBL2872084 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011159303-A1 | ALKANE DEHYDROGENATION CATALYSTS | BASF CORPORATION (US) | 2011-12-22 | — | — | WO | disclosed |