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 | |
|---|---|---|---|---|
| SCHEMBL5305883 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL3385400 | 0.91 | — | — | |
| Bromide SCHEMBL3390866 | 0.91 | — | — | |
| SCHEMBL24003245 | 0.80 | — | — | |
| SCHEMBL18924917 | 0.76 | — | — | |
| Bromide SCHEMBL15671513 | 0.76 | — | — | |
| SCHEMBL11447997 | 0.70 | — | — | |
| SCHEMBL8355299 | 0.70 | — | — | |
| SCHEMBL28666988 | 0.70 | — | — | |
| SCHEMBL453523 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-111163765-B | Method for inhibiting conversion of choline to Trimethylamine (TMA) | 宝洁公司 | 2023-05-09 | — | — | CN | disclosed |
| CN-111163765-A | Methods for inhibiting the conversion of choline to Trimethylamine (TMA) | 宝洁公司 | 2020-05-15 | — | — | CN | disclosed |