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 | |
|---|---|---|---|---|
| SCHEMBL11009782 | 0.98 | — | — | |
| SCHEMBL9460186 | 0.73 | KDM4E (0.36) | — | |
| SCHEMBL2952935 | 0.72 | TOP2A (0.40) | — | |
| Iodide SCHEMBL11306017 | 0.71 | MAPT (0.44) | — | |
| SCHEMBL11013504 | 0.69 | MAPT (0.42) | — | |
| SCHEMBL2987916 | 0.64 | — | — | |
| SCHEMBL9240893 | 0.64 | SCD (0.32) | — | |
| SCHEMBL9130228 | 0.64 | SCD (0.32) | — | |
| SCHEMBL9130756 | 0.64 | SCD (0.32) | — | |
| SCHEMBL8295592 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4258181-A | BACTERICIDES, AMTITUMOR AGENTS, ANTICARCINOGENIC AGENTS | AMERICAN CYANAMID COMPANY (US) | 1981-03-24 | — | — | US | disclosed |