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 | |
|---|---|---|---|---|
| SCHEMBL1276877 | 0.97 | — | — | |
| Bromide SCHEMBL5978535 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL28873768 | 0.94 | — | — | |
| SCHEMBL27948033 | 0.78 | — | — | |
| Iodide SCHEMBL5085184 | 0.77 | TSHR (0.32) | — | |
| SCHEMBL409965 | 0.77 | OPRM1 (0.38) | — | |
| SCHEMBL8446473 | 0.76 | TSHR (0.35) | — | |
| SCHEMBL27948026 | 0.75 | — | — | |
| SCHEMBL1072500 | 0.73 | — | — | |
| Iodide SCHEMBL5086895 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-108404978-B | Application of alkyl quaternary phosphonium salt as catalyst in synthesis of carbonic acid dibasic esters | 中国海洋石油集团有限公司 | 2020-07-03 | — | — | CN | claimed |
| CN-108404978-B | Application of alkyl quaternary phosphonium salt as catalyst in synthesis of carbonic acid dibasic esters | 中国海洋石油集团有限公司 | 2020-07-03 | — | — | CN | disclosed |