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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL1357733 | 0.92 | — | — | |
| Bromide SCHEMBL221606 | 0.92 | — | — | |
| Bromide SCHEMBL4883165 | 0.92 | — | — | |
| Bromide SCHEMBL7931753 | 0.88 | — | — | |
| Fluoride Ion SCHEMBL7058557 | 0.88 | — | — | |
| Iodide SCHEMBL4344883 | 0.84 | — | — | |
| Iodide SCHEMBL4346703 | 0.80 | CA12 (0.37) | — | |
| Iodide SCHEMBL4336908 | 0.79 | — | — | |
| Iodide SCHEMBL6151378 | 0.77 | — | — | |
| Iodide SCHEMBL6151440 | 0.76 | DNM1 (0.44) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0944564-B9 | HALOGEN EXCHANGE REACTIONS AND USES THEREOF | ALBEMARLE CORP (US) | 2005-01-19 | — | — | EP | disclosed |
| EP-1054853-B1 | CATALYST RECOVERY FOR HALOGEN EXCHANGE REACTIONS | ALBEMARLE CORP (US) | 2003-03-19 | — | — | EP | disclosed |
| US-6455718-B1 | FOR CONTINUOUSLY RECOVERING CHLOROPENTAFLUOROBENZENE OR BROMOPENTAFLUOROBENZENE FROM VAPOR PHASE | ALBEMARLE CORPORATION | 2002-09-24 | — | — | US | disclosed |
| EP-0944564-B1 | HALOGEN EXCHANGE REACTIONS AND USES THEREOF | ALBEMARLE CORP (US) | 2002-03-20 | — | — | EP | disclosed |
| US-6241917-B1 | Halogen exchange reactions in preparing catalysts and their precursors | ALBEMARLE CORPORATION | 2001-06-05 | — | — | US | disclosed |
| US-6215032-B1 | SOLVENT EXTRACTION; SEPARATING AMINOPHOSPHONIUM CATALYST; FLUORINATION OF HALOAROMATIC COMPOUND BY REPLACEMENT REACTION WITH ALKALI METAL FLUORIDE | ALBEMARLE CORPORATION | 2001-04-10 | — | — | US | disclosed |
| US-5965781-A | PURIFYING THE CATALYST FOR IMPROVED PERFORMANCE BY DISSOLVING THE PHOSPHONIUM HALIDE IN A LIQUID CYCLIC ETHER, REMOVING THE SOLID IMPURITIES, ADDING A NONSOLVENT TO PRECIPITATE; REACTING AN ALKALI FLUORIDE AND HALO(S)BENZENE | ALBEMARLE CORPORATION (US) | 1999-10-12 | — | — | US | disclosed |
| US-5824827-A | Halogen exchange reactions | ALBEMARLE CORPORATION (US) | 1998-10-20 | — | — | US | disclosed |
| US-5789631-A | Production of perhalobenzenes | ALBEMARLE CORPORATION (US) | 1998-08-04 | — | — | US | disclosed |