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 | |
|---|---|---|---|---|
| SCHEMBL11664522 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL14844794 | 0.71 | NOS3 (0.48) | — | |
| SCHEMBL12762365 | 0.67 | NOS3 (0.38) | — | |
| SCHEMBL3664692 | 0.67 | TP53 (0.39) | — | |
| SCHEMBL9835844 | 0.65 | — | — | |
| SCHEMBL142379 | 0.65 | — | — | |
| SCHEMBL329231 | 0.63 | — | — | |
| SCHEMBL15425830 | 0.63 | — | — | |
| SCHEMBL883443 | 0.59 | — | — | |
| SCHEMBL2134321 | 0.59 | — | — |
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-0018134-B1 | DIHYDROPYRIDINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | BEECHAM GROUP PLC (GB) | 1984-03-14 | — | — | EP | disclosed |