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 | |
|---|---|---|---|---|
| SCHEMBL1618697 | 0.82 | — | — | |
| SCHEMBL31433057 | 0.73 | — | — | |
| SCHEMBL11677132 | 0.73 | — | — | |
| Phosphine SCHEMBL8585867 | 0.73 | — | — | |
| Iodide SCHEMBL11513989 | 0.67 | — | — | |
| Ethylene SCHEMBL5519733 | 0.67 | — | — | |
| Cyclohexane SCHEMBL4984843 | 0.62 | — | — | |
| Iodide SCHEMBL15956267 | 0.58 | — | — | |
| Iodide SCHEMBL675313 | 0.58 | — | — | |
| Iodide SCHEMBL22553050 | 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-4138582-A | ANTICOAGULANTS, CARDIOVASCULAR DISORDERS, HYPOTENSIVE AGENTS | MILES LABORATORIES, INC. (US) | 1979-02-06 | — | — | US | disclosed |