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 | |
|---|---|---|---|---|
| SCHEMBL83077 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL83844 | 0.94 | — | — | |
| SCHEMBL21305079 | 0.91 | HIF1A (0.35) | — | |
| SCHEMBL28016430 | 0.91 | TSHR (0.33) | — | |
| SCHEMBL28196800 | 0.86 | TSHR (0.31) | — | |
| SCHEMBL26740945 | 0.86 | TSHR (0.31) | — | |
| SCHEMBL26460935 | 0.84 | CXCR4 (0.45) | — | |
| SCHEMBL14543405 | 0.82 | TSHR (0.32) | — | |
| SCHEMBL26157 | 0.79 | — | — | |
| Water SCHEMBL21001070 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2621934-A1 | ELECTROLYTE FORMULATIONS CONTAINING CYANO-ALKOXY-BORATE ANIONS | Merck Patent GmbH (DE) | 2013-08-07 | — | — | EP | disclosed |
| WO-2012041434-A1 | ELECTROLYTE FORMULATIONS CONTAINING CYANO-ALKOXY-BORATE ANIONS | MERCK PATENT GMBH (DE) | 2012-04-05 | — | — | WO | disclosed |