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 | |
|---|---|---|---|---|
| SCHEMBL2085603 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL313364 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL27577750 | 0.79 | TDP1 (0.39) | — | |
| SCHEMBL19087041 | 0.75 | TDP1 (0.31) | — | |
| SCHEMBL14658477 | 0.74 | — | — | |
| SCHEMBL15067993 | 0.72 | — | — | |
| SCHEMBL19992585 | 0.72 | TDP1 (0.68) | — | |
| SCHEMBL8239151 | 0.71 | ALOX5 (0.34) | — | |
| SCHEMBL8248872 | 0.71 | DRD4 (0.30) | — | |
| SCHEMBL23654646 | 0.70 | TDP1 (0.35) | — |
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 |