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 | |
|---|---|---|---|---|
| SCHEMBL1897690 | 0.82 | — | — | |
| SCHEMBL27862348 | 0.82 | — | — | |
| Iodide SCHEMBL18708 | 0.82 | — | — | |
| Iodide SCHEMBL7209608 | 0.82 | — | — | |
| SCHEMBL74793 | 0.82 | — | — | |
| SCHEMBL27948499 | 0.82 | — | — | |
| Iodide SCHEMBL11424244 | 0.82 | — | — | |
| Iodide SCHEMBL305097 | 0.82 | — | — | |
| Water SCHEMBL11249340 | 0.67 | — | — | |
| Water SCHEMBL4465834 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9441154-B2 | Barium iodide and strontium iodide crystals and scintillators implementing the same | LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) | 2016-09-13 | — | — | US | disclosed |
| US-20140361221-A1 | BARIUM IODIDE AND STRONTIUM IODIDE CRYSTALS AND SCINTILLATORS IMPLEMENTING THE SAME | FISK UNIVERSITY (US) | 2014-12-11 | — | — | US | disclosed |