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 | |
|---|---|---|---|---|
| SCHEMBL7985953 | 0.97 | — | — | |
| SCHEMBL27326847 | 0.72 | — | — | |
| SCHEMBL28290590 | 0.71 | — | — | |
| SCHEMBL24574310 | 0.69 | — | — | |
| SCHEMBL23554491 | 0.69 | — | — | |
| SCHEMBL21334254 | 0.67 | — | — | |
| SCHEMBL28301205 | 0.67 | — | — | |
| SCHEMBL18616041 | 0.65 | — | — | |
| SCHEMBL13536975 | 0.64 | — | — | |
| SCHEMBL22823078 | 0.63 | — | — |
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-0724570-B1 | AMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | SEARLE & CO (US) | 1999-03-03 | — | — | EP | disclosed |