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 | |
|---|---|---|---|---|
| SCHEMBL67348 | 0.97 | — | — | |
| SCHEMBL9161372 | 0.94 | — | — | |
| SCHEMBL30419542 | 0.94 | TSHR (0.53) | — | |
| SCHEMBL5829989 | 0.94 | TSHR (0.53) | — | |
| Bromide SCHEMBL3712596 | 0.94 | — | — | |
| SCHEMBL7947978 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL5076752 | 0.94 | — | — | |
| SCHEMBL3563862 | 0.94 | TSHR (0.53) | — | |
| SCHEMBL22472034 | 0.94 | — | — | |
| SCHEMBL27616603 | 0.94 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104144937-A | Novel diphosphonium salt and method for producing same | KOEI CHEMICAL CO | 2014-11-12 | — | — | CN | disclosed |
| WO-2001038287-A1 | ADDUCTS OF GLYCIDYLESTERS OF α,α-BRANCHED CARBOXYLIC ACIDS AND CARBOXYLIC ACIDS AND PROCESS FOR THEIR PREPARATION | RESOLUTION RESEARCH NEDERLAND B.V. (NL) | 2001-05-31 | — | — | WO | disclosed |
| EP-0163416-A2 | Phenol derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1985-12-04 | — | — | EP | disclosed |