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 | |
|---|---|---|---|---|
| Benzene SCHEMBL8532175 | 0.89 | LMNA (0.31) | — | |
| Ethane SCHEMBL8528213 | 0.88 | LMNA (0.31) | — | |
| Iodide SCHEMBL8038352 | 0.87 | — | — | |
| Iodide SCHEMBL8528526 | 0.85 | — | — | |
| Cyclohexane SCHEMBL8531886 | 0.84 | — | — | |
| Iodide SCHEMBL8038402 | 0.84 | ADORA1 (0.31) | — | |
| Oxirane SCHEMBL8528331 | 0.83 | — | — | |
| Propene SCHEMBL8533194 | 0.82 | MEN1 (0.34) | — | |
| Iodide SCHEMBL8529405 | 0.81 | — | — | |
| Iodide SCHEMBL8531448 | 0.78 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5830875-A | PARASITICIDES | MERCK & CO., INC. (US) | 1998-11-03 | — | — | US | disclosed |
| US-5208222-A | Anthelemetic | MERCK & CO., INC. (US) | 1993-05-04 | — | — | US | disclosed |
| EP-0506331-A1 | 4\"-and 4'-alkylthio-avermectin derivatives | MERCK & CO. INC. (US) | 1992-09-30 | — | — | EP | disclosed |