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 | |
|---|---|---|---|---|
| SCHEMBL284184 | 0.96 | — | — | |
| Bromide SCHEMBL10950375 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL9095331 | 0.92 | — | — | |
| Iodide SCHEMBL5598352 | 0.64 | BCHE (0.32) | — | |
| SCHEMBL10824162 | 0.61 | — | — | |
| Phosphine SCHEMBL28180262 | 0.58 | — | — | |
| SCHEMBL8319901 | 0.58 | — | — | |
| Iodide SCHEMBL303013 | 0.58 | — | — | |
| Benzene SCHEMBL23303796 | 0.58 | TP53 (0.33) | — | |
| SCHEMBL40912 | 0.58 | BCHE (0.33) | — |
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 8 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 |
| EP-0506240-B1 | Process for the recovery of acetic acid from compositions comprising acetic acid and water | BP CHEM INT LTD (GB) | 1996-02-07 | — | — | EP | disclosed |
| US-5442107-A | Reacting carbon monoxide with alcohol in the presence of rhodium catalyst | BP CHEMICALS LIMITED (GB) | 1995-08-15 | — | — | US | disclosed |
| CN-1027063-C | Process for producing carboxylic acid | BP CHEM INT LTD (GB) | 1994-12-21 | — | — | CN | disclosed |
| EP-0506240-A2 | Process for the recovery of acetic acid from compositions comprising acetic acid and water | BP Chemicals Limited (GB) | 1992-09-30 | — | — | EP | disclosed |
| WO-1990011991-A1 | PROCESS FOR PREPARING CARBOXYLIC ACIDS | BP CHEMICALS LIMITED (GB) | 1990-10-18 | — | — | WO | disclosed |
| EP-0391680-A1 | Process for preparing carboxylic acids | BP Chemicals Limited (GB) | 1990-10-10 | — | — | EP | disclosed |