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 | |
|---|---|---|---|---|
| Iodide SCHEMBL990640 | 1.00 | — | — | |
| SCHEMBL754117 | 0.97 | — | — | |
| SCHEMBL27445506 | 0.97 | TP53 (0.44) | — | |
| SCHEMBL50988 | 0.97 | — | — | |
| SCHEMBL50989 | 0.97 | — | — | |
| SCHEMBL14889907 | 0.97 | TP53 (0.44) | — | |
| Water SCHEMBL439515 | 0.94 | — | — | |
| Water SCHEMBL439514 | 0.94 | — | — | |
| SCHEMBL22164139 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL1007680 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8507208-B2 | Methods and compositions for detection of biological materials using microfluidic devices | UNIVERSITY OF WYOMING (US) | 2013-08-13 | — | — | US | disclosed |
| US-20110177530-A1 | Methods and Compositions for Detection of Biological Materials Using Microfluidic Devices | UNIVERSITY OF WYOMING | 2011-07-21 | — | — | US | disclosed |
| WO-2011011669-A1 | METHODS AND COMPOSITIONS FOR DETECTION OF BIOLOGICAL MATERIALS USING MICROFLUIDIC DEVICES | UNIVERSITY OF WYOMING (US) | 2011-01-27 | — | — | WO | disclosed |