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 | |
|---|---|---|---|---|
| Iodide SCHEMBL6847392 | 0.91 | — | — | |
| SCHEMBL16700614 | 0.90 | — | — | |
| Iodide SCHEMBL4267895 | 0.88 | — | — | |
| SCHEMBL877400 | 0.84 | — | — | |
| Bromide SCHEMBL6856278 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL13274431 | 0.80 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL16699901 | 0.80 | KCNH2 (0.31) | — | |
| Bromide SCHEMBL6850597 | 0.79 | — | — | |
| SCHEMBL6854584 | 0.79 | — | — | |
| SCHEMBL15740458 | 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-9598342-B2 | Production of acetic acid with enhanced catalyst stability | CELANESE INTERNATIONAL CORPORATION (US) | 2017-03-21 | — | — | US | disclosed |
| US-20140309455-A1 | PRODUCTION OF ACETIC ACID WITH ENHANCED CATALYST STABILITY | CELANESE INTERNATIONAL CORPORATION (US) | 2014-10-16 | — | — | US | disclosed |