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 | |
|---|---|---|---|---|
| SCHEMBL9681470 | 0.95 | — | — | |
| SCHEMBL10975928 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL15532176 | 0.92 | — | — | |
| SCHEMBL8539633 | 0.79 | — | — | |
| Bromide SCHEMBL11737132 | 0.77 | — | — | |
| SCHEMBL2660892 | 0.70 | — | — | |
| SCHEMBL8539868 | 0.69 | INMT (0.56) | — | |
| SCHEMBL5509823 | 0.69 | — | — | |
| SCHEMBL14580451 | 0.68 | INMT (0.54) | — | |
| SCHEMBL11627926 | 0.65 | — | — |
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-4181661-A | SCHIZOPHRENIA, PSYCHOLOGICAL DISORDERS | MERCK & CO., INC. (US) | 1980-01-01 | — | — | US | disclosed |