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 | |
|---|---|---|---|---|
| Bromide SCHEMBL11815339 | 0.96 | — | — | |
| Iodide SCHEMBL11279975 | 0.78 | — | — | |
| SCHEMBL8880798 | 0.76 | — | — | |
| SCHEMBL34472928 | 0.71 | — | — | |
| Bromide SCHEMBL11698382 | 0.70 | PTGIR (0.30) | — | |
| Iodide SCHEMBL10795714 | 0.70 | — | — | |
| SCHEMBL13024396 | 0.69 | — | — | |
| SCHEMBL3541111 | 0.67 | — | — | |
| SCHEMBL14029055 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL10795302 | 0.65 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8012985-B2 | parasiticides, in particularly against Plasmodium and babesia; antimalarial agents | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) | 2011-09-06 | — | — | US | disclosed |
| US-20050176819-A1 | Compounds with antiparasitic activity and medicines containing same | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N. (FR) | 2005-08-11 | — | — | US | disclosed |