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 | |
|---|---|---|---|---|
| SCHEMBL2450563 | 0.97 | — | — | |
| Iodide SCHEMBL28489287 | 0.70 | — | — | |
| SCHEMBL23533887 | 0.69 | — | — | |
| Iodide SCHEMBL8374346 | 0.68 | — | — | |
| Iodide SCHEMBL27518262 | 0.68 | — | — | |
| Iodide SCHEMBL27895851 | 0.68 | — | — | |
| SCHEMBL2541403 | 0.67 | — | — | |
| SCHEMBL5973679 | 0.67 | — | — | |
| SCHEMBL12570752 | 0.67 | — | — | |
| SCHEMBL1105675 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102199111-B | Process and intermediates for preparing hepatitis c virus protease inhibitors | SCHERING CORPORTAION | 2012-07-04 | — | — | CN | disclosed |