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 | |
|---|---|---|---|---|
| SCHEMBL4543148 | 0.67 | — | — | |
| SCHEMBL28052761 | 0.55 | — | — | |
| SCHEMBL18569941 | 0.54 | — | — | |
| SCHEMBL27544367 | 0.52 | ALDH1A1 (0.32) | — | |
| SCHEMBL24444470 | 0.50 | — | — | |
| SCHEMBL257416 | 0.50 | — | — | |
| SCHEMBL24690865 | 0.48 | ALDH1A1 (0.32) | — | |
| SCHEMBL13495872 | 0.46 | — | — | |
| SCHEMBL8468854 | 0.46 | — | — | |
| SCHEMBL12837466 | 0.46 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002017922-A1 | BRIDGED NICOTINE COMPOUNDS FOR USE IN THE TREATMENT OF CNS PATHOLOGIES | UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) | 2002-03-07 | — | — | WO | disclosed |