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 | |
|---|---|---|---|---|
| SCHEMBL34472928 | 0.81 | — | — | |
| Iodide SCHEMBL2414539 | 0.78 | — | — | |
| Iodide SCHEMBL10795714 | 0.64 | — | — | |
| Bromide SCHEMBL11698382 | 0.64 | PTGIR (0.30) | — | |
| Bromide SCHEMBL15346420 | 0.64 | NOS3 (0.33) | — | |
| Iodide SCHEMBL315802 | 0.63 | — | — | |
| Iodide SCHEMBL2418682 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL10795302 | 0.60 | — | — | |
| SCHEMBL94280 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL3171903 | 0.58 | — | — |
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-4349553-A | Spiro-cyclopropyl amidinohydrazones, and use as insect and fire ant control agents | AMERICAN CYANAMID COMPANY (US) | 1982-09-14 | — | — | US | disclosed |