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 | |
|---|---|---|---|---|
| SCHEMBL2804547 | 0.89 | — | — | |
| Iodide SCHEMBL3290178 | 0.88 | — | — | |
| Iodide SCHEMBL3314506 | 0.84 | — | — | |
| SCHEMBL5069718 | 0.84 | — | — | |
| SCHEMBL17714059 | 0.73 | — | — | |
| SCHEMBL18557572 | 0.60 | — | — | |
| SCHEMBL19068041 | 0.60 | — | — | |
| SCHEMBL13953070 | 0.60 | — | — | |
| SCHEMBL14537899 | 0.60 | — | — | |
| SCHEMBL16272972 | 0.57 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1982989-B1 | BIS(PHOSPHINE)BORONIUM SALTS, PROCESS FOR PREPARATION OF BIS(PHOSPHINE)BORONIUM SALTS, AND BIS(PHOSPHINE)BORONIUM SALTS PREPARED BY THE PROCESS | JAPAN SCIENCE & TECH AGENCY (JP) | 2012-08-15 | — | — | EP | disclosed |
| US-7723548-B2 | Bis(phosphine) boronium salt, production method of bis(phosphine) boronium salt, and bis(phosphine) boronium salt produced by the production method | JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) | 2010-05-25 | — | — | US | disclosed |
| US-20090062567-A1 | BIS(PHOSPHINE) BORONIUM SALT, PRODUCTION METHOD OF BIS(PHOSPHINE) BORONIUM SALT, AND BIS(PHOSPHINE) BORONIUM SALT PRODUCED BY THE PRODUCTION METHOD | JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) | 2009-03-05 | — | — | US | disclosed |
| EP-1982989-A1 | BIS(PHOSPHINE)BORONIUM SALTS, PROCESS FOR PREPARATION OF BIS(PHOSPHINE)BORONIUM SALTS, AND BIS(PHOSPHINE)BORONIUM SALTS PREPARED BY THE PROCESS | Japan Science and Technology Agency (JP) | 2008-10-22 | — | — | EP | disclosed |