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 | |
|---|---|---|---|---|
| SCHEMBL14980705 | 0.95 | — | — | |
| SCHEMBL23915664 | 0.70 | — | — | |
| SCHEMBL1926922 | 0.70 | — | — | |
| SCHEMBL28387252 | 0.70 | — | — | |
| SCHEMBL19137569 | 0.61 | — | — | |
| SCHEMBL22166344 | 0.61 | — | — | |
| Isopropylamine SCHEMBL368557 | 0.60 | — | — | |
| Isopropylamine SCHEMBL20769333 | 0.60 | — | — | |
| Isopropylamine SCHEMBL9936833 | 0.60 | — | — | |
| Iodide SCHEMBL8508955 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8076486-B2 | Heteroaryl-substituted arylaminopyridine derivatives as MEK inhibitors | MERCK SERONO S.A. (CH) | 2011-12-13 | — | — | US | disclosed |
| EP-2013180-A1 | NOVEL HETEROARYL-SUBSTITUTED ARYLAMINOPYRIDINE DERIVATIVES AS MEK INHIBITORS | Laboratoires Serono SA (CH) | 2009-01-14 | — | — | EP | disclosed |
| US-20070287737-A1 | Novel heteroaryl-substituted arylaminopyridine derivatives as MEK inhibitors | MERCK SERONO SA (CH) | 2007-12-13 | — | — | US | disclosed |
| WO-2007123936-A1 | NOVEL HETEROARYL-SUBSTITUTED ARYLAMINOPYRIDINE DERIVATIVES AS MEK INHIBITORS | LABORATOIRES SERONO SA (CH) | 2007-11-01 | — | — | WO | disclosed |