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 | |
|---|---|---|---|---|
| SCHEMBL1810 | 0.96 | — | — | |
| SCHEMBL19514101 | 0.92 | — | — | |
| Methyl Alcohol SCHEMBL9799142 | 0.88 | — | — | |
| Trifluoroacetic Acid SCHEMBL28273275 | 0.85 | ALDH1A1 (0.41) | — | |
| SCHEMBL28235957 | 0.82 | CA2 (0.32) | — | |
| Alcohol SCHEMBL9799163 | 0.79 | FAAH (0.39) | — | |
| SCHEMBL3822357 | 0.77 | — | — | |
| Dimethyl Sulfoxide SCHEMBL5432280 | 0.77 | — | — | |
| SCHEMBL7629562 | 0.75 | — | — | |
| SCHEMBL1599019 | 0.75 | THRB (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4136064-A1 | SYNTHESIS OF TRIFLUOROACETYL IODIDE (TFAI) FROM TRIFLUOROACETYL CHLORIDE (TFAC) AND HYDROGEN IODIDE (HI) IN A LIQUID PHASE REACTION | Honeywell International Inc. (US) | 2023-02-22 | — | — | EP | disclosed |
| US-20210317062-A1 | SYNTHESIS OF TRIFLUOROACETYL IODIDE (TFAI) FROM TRIFLUOROACETYL CHLORIDE (TFAC) AND HYDROGEN IODIDE (HI) IN A LIQUID PHASE REACTION | SOLSTICE ADVANCED MATERIALS US, INC. | 2021-10-14 | — | — | US | disclosed |