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 | |
|---|---|---|---|---|
| SCHEMBL4767521 | 0.97 | — | — | |
| SCHEMBL1254977 | 0.97 | FBP1 (0.41) | — | |
| SCHEMBL22395 | 0.97 | — | — | |
| SCHEMBL18247606 | 0.94 | — | — | |
| Benzene SCHEMBL29019925 | 0.94 | DAO (0.40) | — | |
| SCHEMBL3805323 | 0.94 | — | — | |
| Water SCHEMBL625172 | 0.94 | FBP1 (0.39) | — | |
| Benzene SCHEMBL28756946 | 0.94 | DAO (0.40) | — | |
| Hydrogen Sulfide SCHEMBL29248840 | 0.94 | — | — | |
| SCHEMBL27762775 | 0.94 | — | — |
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-8053478-B1 | Antimicrobial diaryl iodonium compositions and method | Cornell Development Group, LLC (US) | 2011-11-08 | — | — | US | disclosed |