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 | |
|---|---|---|---|---|
| SCHEMBL1678167 | 0.96 | — | — | |
| Ammonia Solution, Strong SCHEMBL3395675 | 0.93 | — | — | |
| SCHEMBL18969667 | 0.83 | TSHR (0.35) | — | |
| SCHEMBL27769331 | 0.78 | — | — | |
| SCHEMBL14509762 | 0.78 | — | — | |
| SCHEMBL20648613 | 0.78 | — | — | |
| SCHEMBL13771199 | 0.78 | — | — | |
| SCHEMBL13757685 | 0.78 | TSHR (0.39) | — | |
| SCHEMBL23452932 | 0.76 | TSHR (0.30) | — | |
| SCHEMBL19903901 | 0.76 | — | — |
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-1278736-A1 | QUATERNARY SALTS OF N-SUBSTITUTED CYCLIC OR ACYCLIC AMINES AS PHARMACEUTICALS | UCB FARCHIM S.A. (CH) | 2003-01-29 | — | — | EP | disclosed |
| WO-2001044218-A1 | QUATERNARY SALTS OF N-SUBSTITUTED CYCLIC OR ACYCLIC AMINES AS PHARMACEUTICALS | UCB FARCHIM S.A. (CH) | 2001-06-21 | — | — | WO | disclosed |