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 | |
|---|---|---|---|---|
| SCHEMBL1169064 | 0.95 | — | — | |
| Bromide SCHEMBL19458438 | 0.91 | — | — | |
| SCHEMBL1735378 | 0.91 | — | — | |
| Water SCHEMBL19458398 | 0.91 | — | — | |
| Fluoride SCHEMBL19458344 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL23478346 | 0.91 | — | — | |
| SCHEMBL30496483 | 0.84 | — | — | |
| SCHEMBL1170303 | 0.83 | — | — | |
| SCHEMBL2767461 | 0.81 | — | — | |
| Bicarbonate SCHEMBL30774952 | 0.81 | ACHE (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2338923-B1 | Polyurethane with a biocidal polyuric material as comonomer | OBERWALDER SEBASTIAN (DE) | 2017-10-18 | — | — | EP | claimed |