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 | |
|---|---|---|---|---|
| SCHEMBL4444526 | 0.93 | — | — | |
| Bromide SCHEMBL4450508 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL4446547 | 0.86 | — | — | |
| Butadiene SCHEMBL11370926 | 0.62 | — | — | |
| Iodide SCHEMBL4446577 | 0.57 | — | — | |
| Propene SCHEMBL2140672 | 0.57 | — | — | |
| Propene SCHEMBL5180494 | 0.57 | — | — | |
| Iodide SCHEMBL4443061 | 0.57 | — | — | |
| Iodide SCHEMBL6295549 | 0.57 | — | — | |
| Iodide SCHEMBL8464248 | 0.57 | — | — |
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-7629494-B2 | Process for producing cyclopropylphenol derivative | MITSUI CHEMICALS AGRO, INC. (JP) | 2009-12-08 | — | — | US | disclosed |
| US-20090054681-A1 | Production Process of cyclopropylphenol derivatives | SANKYO AGRO COMPANY, LIMITED (JP) | 2009-02-26 | — | — | US | disclosed |
| EP-1880987-A1 | PROCESS FOR PRODUCING CYCLOPROPYLPHENOL DERIVATIVE | Sankyo Agro Company, Limited (JP) | 2008-01-23 | — | — | EP | disclosed |