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 | |
|---|---|---|---|---|
| SCHEMBL65397 | 0.97 | — | — | |
| SCHEMBL27450473 | 0.97 | NOS3 (0.56) | — | |
| SCHEMBL29365135 | 0.97 | — | — | |
| SCHEMBL29219130 | 0.94 | — | — | |
| SCHEMBL30904682 | 0.94 | — | — | |
| SCHEMBL29125156 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL10732155 | 0.94 | NOS3 (0.54) | — | |
| Fluoride SCHEMBL2024550 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL164743 | 0.94 | — | — | |
| SCHEMBL29267721 | 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 |
|---|---|---|---|---|---|---|---|
| EP-3749611-A1 | A PROCESS FOR PREPARING A ZEOLITIC MATERIAL HAVING A FRAMEWORK STRUCTURE TYPE RTH | BASF SE (DE) | 2020-12-16 | — | — | EP | disclosed |