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 | |
|---|---|---|---|---|
| SCHEMBL472871 | 0.77 | — | — | |
| SCHEMBL27858829 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL11048878 | 0.74 | — | — | |
| SCHEMBL27444047 | 0.74 | — | — | |
| Benzene SCHEMBL28446162 | 0.72 | — | — | |
| SCHEMBL12966363 | 0.72 | — | — | |
| Methylamine SCHEMBL27476913 | 0.72 | — | — | |
| SCHEMBL13863816 | 0.72 | — | — | |
| SCHEMBL14303818 | 0.72 | — | — | |
| Ethylene SCHEMBL27304002 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1515799-B1 | REACTION AND TEMPERATURE CONTROL FOR HIGH POWER MICROWAVE-ASSISTED CHEMISTRY TECHNIQUES | CEM CORP (US) | 2012-09-05 | — | — | EP | disclosed |
| US-6917023-B2 | Reaction and temperature control for high power microwave-assisted chemistry techniques | CEM CORPORATION (US) | 2005-07-12 | — | — | US | disclosed |
| EP-1515799-A1 | REACTION AND TEMPERATURE CONTROL FOR HIGH POWER MICROWAVE-ASSISTED CHEMISTRY TECHNIQUES | CEM Corporation (US) | 2005-03-23 | — | — | EP | disclosed |
| US-20040195086-A1 | Reaction and temperature control for high power microwave-assisted chemistry techniques | HAYES BRITTANY L (US) | 2004-10-07 | — | — | US | disclosed |
| US-6744024-B1 | Reaction and temperature control for high power microwave-assisted chemistry techniques | CEM CORPORATION | 2004-06-01 | — | — | US | disclosed |
| WO-2004002617-A1 | REACTION AND TEMPERATURE CONTROL FOR HIGH POWER MICROWAVE-ASSISTED CHEMISTRY TECHNIQUES | CEM CORPORATION (US) | 2004-01-08 | — | — | WO | disclosed |