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 | |
|---|---|---|---|---|
| SCHEMBL20567 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL214508 | 0.94 | — | — | |
| SCHEMBL16038568 | 0.87 | — | — | |
| Formic Acid SCHEMBL15823576 | 0.83 | PLG (0.40) | — | |
| Acetic Acid SCHEMBL5498413 | 0.81 | PLG (0.48) | — | |
| SCHEMBL3700103 | 0.80 | — | — | |
| SCHEMBL3464740 | 0.80 | — | — | |
| SCHEMBL470130 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL481715 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL21408413 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7799824-B2 | Quaternary salt CCR2 antagonists | ORAPHARMA, INC. (US) | 2010-09-21 | — | — | US | disclosed |
| US-20060293379-A1 | Quaternary salt CCR2 antagonists | KENVUE BRANDS LLC | 2006-12-28 | — | — | US | disclosed |