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 | |
|---|---|---|---|---|
| SCHEMBL19867894 | 0.97 | — | — | |
| Iodide SCHEMBL1545546 | 0.74 | — | — | |
| Iodide SCHEMBL1545549 | 0.74 | — | — | |
| SCHEMBL19169055 | 0.71 | — | — | |
| SCHEMBL4102460 | 0.71 | — | — | |
| SCHEMBL2904245 | 0.71 | — | — | |
| SCHEMBL12040644 | 0.71 | — | — | |
| SCHEMBL21940339 | 0.70 | — | — | |
| SCHEMBL14533042 | 0.69 | — | — | |
| SCHEMBL19174309 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4801708-A | FOR AGRICULTURAL USE | CIBA-GEIGY CORPORATION (US) | 1989-01-31 | — | — | US | disclosed |