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 | |
|---|---|---|---|---|
| SCHEMBL7946225 | 0.96 | — | — | |
| SCHEMBL806100 | 0.96 | — | — | |
| SCHEMBL9614260 | 0.96 | — | — | |
| Phosphonic Acid SCHEMBL10497322 | 0.82 | LMNA (0.42) | — | |
| Glycerin SCHEMBL27580068 | 0.77 | — | — | |
| Glycerin SCHEMBL27842764 | 0.76 | — | — | |
| Glycerin SCHEMBL4614533 | 0.76 | — | — | |
| Diiodohydroxypropane SCHEMBL2279164 | 0.76 | — | — | |
| Glycerin SCHEMBL11659319 | 0.72 | — | — | |
| Glycerin SCHEMBL10453101 | 0.71 | LMNA (1.00) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0941083-B1 | PHARMACEUTICAL COMPOSITIONS CONTAINING 3-IODO-1,2-PROPANEDIOL HAVING MUCOLYTIC ACTIVITY | MEDPOINTE HEALTHCARE INC (US) | 2006-07-19 | — | — | EP | disclosed |
| US-5723501-A | Pharmaceutical compositions containing 3-IODO-1,2-propanediol having mucolytic activity | CARTER-WALLACE, INC. (US) | 1998-03-03 | — | — | US | disclosed |