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 SCHEMBL614910 | 0.88 | — | — | |
| SCHEMBL1319 | 0.87 | — | — | |
| SCHEMBL15658212 | 0.87 | ALDH1A1 (1.00) | — | |
| Water SCHEMBL8878056 | 0.80 | ALDH1A1 (0.86) | — | |
| SCHEMBL9407011 | 0.80 | ALDH1A1 (0.86) | — | |
| SCHEMBL8715381 | 0.80 | — | — | |
| SCHEMBL9357181 | 0.80 | ALDH1A1 (0.86) | — | |
| Hydrochloric Acid SCHEMBL7512029 | 0.80 | — | — | |
| SCHEMBL9419675 | 0.80 | — | — | |
| Charcoal, Activated SCHEMBL8413635 | 0.80 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109438514-B | Preparation method of adefovir dipivoxil | 湖南方盛制药股份有限公司 | 2020-12-18 | — | — | CN | claimed |
| WO-2012173504-A2 | METHOD FOR SYNTHESIS OF THE SUBSTITUTED AZETIDINONES AND INTERMEDIATES FOR THEIR SYNTHESIS | Instytut Chemii Organicznej Polskiej Akademii Nauk (PL) | 2012-12-20 | — | — | WO | claimed |
| WO-2012173504-A2 | METHOD FOR SYNTHESIS OF THE SUBSTITUTED AZETIDINONES AND INTERMEDIATES FOR THEIR SYNTHESIS | Instytut Chemii Organicznej Polskiej Akademii Nauk (PL) | 2012-12-20 | — | — | WO | disclosed |
| US-6987163-B2 | Modified polybenzimidazole (PBI) membranes for enhanced polymer electrochemical cells | RESEARCH FOUNDATION OF THE STATE UNIVERSITY OF NEW YORK (US) | 2006-01-17 | — | — | US | disclosed |
| US-20040028976-A1 | Modified polybenzimidazole (PBI) membranes for enhanced polymer electrochemical cells | THE RESEARCH FOUNDATION OF THE STATE OF NEW YORK | 2004-02-12 | — | — | US | disclosed |