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 | |
|---|---|---|---|---|
| SCHEMBL2267459 | 0.96 | — | — | |
| SCHEMBL21859332 | 0.70 | TYR (0.33) | — | |
| SCHEMBL21859333 | 0.67 | INMT (0.40) | — | |
| Iodide SCHEMBL11100054 | 0.61 | — | — | |
| SCHEMBL16532135 | 0.59 | LPO (0.44) | — | |
| SCHEMBL32676509 | 0.57 | LPO (0.42) | — | |
| Hydrochloric Acid SCHEMBL7535543 | 0.55 | LPO (0.40) | — | |
| SCHEMBL32676586 | 0.54 | LPO (0.38) | — | |
| SCHEMBL31491268 | 0.54 | — | — | |
| SCHEMBL18773169 | 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 |
|---|---|---|---|---|---|---|---|
| US-4342764-A | Guanidine compounds, pharmaceutical compositions and use | CIBA-GEIGY CORPORATION (US) | 1982-08-03 | — | — | US | disclosed |