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 | |
|---|---|---|---|---|
| SCHEMBL327870 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL27558887 | 0.94 | — | — | |
| SCHEMBL22951124 | 0.92 | CYP2C19 (0.48) | — | |
| SCHEMBL25035068 | 0.87 | CYP2C19 (0.62) | — | |
| SCHEMBL19956079 | 0.87 | KDM4E (0.52) | — | |
| Iodide SCHEMBL7534698 | 0.85 | KDM4E (0.46) | — | |
| Iodide SCHEMBL1835511 | 0.84 | KDM4E (0.42) | — | |
| SCHEMBL22856505 | 0.81 | KDM4E (0.47) | — | |
| SCHEMBL10350619 | 0.81 | KDM4E (0.47) | — | |
| SCHEMBL23568387 | 0.81 | KDM4E (0.47) | — |
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-109004270-A | A kind of preparation method of chitosan quaternary ammonium salt/ionic liquid gel type polyeletrolyte | 南昌航空大学 | 2018-12-14 | — | — | CN | disclosed |