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 | |
|---|---|---|---|---|
| SCHEMBL306322 | 0.95 | — | — | |
| Dl-Dithiothreitol SCHEMBL31036783 | 0.69 | LMNA (0.30) | — | |
| SCHEMBL12309031 | 0.64 | — | — | |
| Butane SCHEMBL2213972 | 0.63 | — | — | |
| Ether SCHEMBL11670969 | 0.63 | — | — | |
| Ether SCHEMBL48456 | 0.63 | — | — | |
| SCHEMBL1726887 | 0.63 | — | — | |
| Ether SCHEMBL7121150 | 0.63 | — | — | |
| Ether SCHEMBL11670962 | 0.63 | ALDH1A1 (0.44) | — | |
| SCHEMBL810903 | 0.63 | — | — |
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-1993014084-A2 | PIPERIDINE DERIVATIVES | GLAXO GROUP LIMITED (GB) | 1993-07-22 | — | — | WO | disclosed |