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 | |
|---|---|---|---|---|
| SCHEMBL3818029 | 0.98 | — | — | |
| Iodide SCHEMBL2922211 | 0.82 | SMN1; SMN2 (0.53) | — | |
| Iodide SCHEMBL4414352 | 0.80 | SMN1; SMN2 (0.50) | — | |
| SCHEMBL718979 | 0.79 | — | — | |
| Iodide SCHEMBL14778316 | 0.79 | SMN1; SMN2 (0.59) | — | |
| Iodide SCHEMBL410828 | 0.78 | — | — | |
| Bromide SCHEMBL571801 | 0.77 | SMN1; SMN2 (0.58) | — | |
| Alcohol SCHEMBL28679300 | 0.77 | SMN1; SMN2 (0.48) | — | |
| Hydrochloric Acid SCHEMBL1048130 | 0.77 | SMN1; SMN2 (0.53) | — | |
| SCHEMBL30070818 | 0.77 | SMN1; SMN2 (0.53) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8921589-B2 | Electrolyte formulations | MERCK PATENT GMBH (DE) | 2014-12-30 | — | — | US | disclosed |
| EP-2621934-A1 | ELECTROLYTE FORMULATIONS CONTAINING CYANO-ALKOXY-BORATE ANIONS | Merck Patent GmbH (DE) | 2013-08-07 | — | — | EP | disclosed |
| EP-2622617-A2 | ELECTROLYTE FORMULATIONS | Merck Patent GmbH (DE) | 2013-08-07 | — | — | EP | disclosed |
| US-20130180591-A1 | ELECTROLYTE FORMULATIONS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2013-07-18 | — | — | US | disclosed |
| WO-2012041437-A2 | ELECTROLYTE FORMULATIONS | MERCK PATENT GMBH (DE) | 2012-04-05 | — | — | WO | disclosed |
| WO-2012041434-A1 | ELECTROLYTE FORMULATIONS CONTAINING CYANO-ALKOXY-BORATE ANIONS | MERCK PATENT GMBH (DE) | 2012-04-05 | — | — | WO | disclosed |