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 SCHEMBL1994672 | 1.00 | — | — | |
| Iodide SCHEMBL11661849 | 1.00 | — | — | |
| Iodide SCHEMBL124098 | 1.00 | — | — | |
| Fluoride SCHEMBL21987906 | 0.82 | — | — | |
| Iodide SCHEMBL28215566 | 0.82 | — | — | |
| Iodide SCHEMBL16161324 | 0.82 | — | — | |
| Fluoride SCHEMBL4297829 | 0.82 | — | — | |
| Iodide SCHEMBL5037302 | 0.71 | — | — | |
| Iodide SCHEMBL6053672 | 0.71 | — | — | |
| SCHEMBL8027945 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20110166351-A1 | METHOD FOR PREPARING 5-[2-(METHYLTHIO)ETHOXY]PYRIMIDINE-2-AMINE | KOWA COMPANY, LTD. (JP) | 2011-07-07 | — | — | US | disclosed |
| EP-2332923-A1 | 5-Ý2-(METHYLTHIO)ETHOXY¨PYRIMIDINE-2-AMINE MANUFACTURING METHOD | Kowa Company, Ltd. (JP) | 2011-06-15 | — | — | EP | disclosed |