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 | |
|---|---|---|---|---|
| Ethane SCHEMBL28414719 | 0.90 | — | — | |
| SCHEMBL5952744 | 0.88 | APP (0.50) | — | |
| Formaldehyde SCHEMBL29018323 | 0.88 | — | — | |
| SCHEMBL5951935 | 0.85 | APP (0.48) | — | |
| Formic Acid SCHEMBL29046238 | 0.83 | APP (0.46) | — | |
| Phenol SCHEMBL10525660 | 0.81 | ALOX5 (0.60) | — | |
| Acetic Acid SCHEMBL28572882 | 0.81 | EGFR (0.49) | — | |
| Acetonitrile SCHEMBL28598009 | 0.81 | APP (0.44) | — | |
| SCHEMBL7738889 | 0.79 | ALOX5 (0.62) | — | |
| SCHEMBL17625678 | 0.77 | ALOX5 (0.68) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101679216-A | Novel 3-phenylpropionic acid derivatives as activators for receptors of the PPAR type, process for their preparation and their use in cosmetic or pharmaceutical compositions | GALDERMA RES & DEV | 2010-03-24 | — | — | CN | disclosed |