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 SCHEMBL21245502 | 0.89 | — | — | |
| Iodide SCHEMBL28208265 | 0.89 | — | — | |
| Bromide SCHEMBL5859172 | 0.89 | — | — | |
| SCHEMBL15333 | 0.88 | — | — | |
| SCHEMBL10425917 | 0.88 | FDPS (0.31) | — | |
| SCHEMBL2589423 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL5586398 | 0.82 | — | — | |
| SCHEMBL6128086 | 0.82 | — | — | |
| SCHEMBL9469219 | 0.82 | — | — | |
| SCHEMBL2194227 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101146618-B | Unsymmetrically substituted phospholane catalysts | EVONIK DEGUSSA GMBH | 2012-08-29 | — | — | CN | disclosed |
| CN-101146618-A | Unsymmetrically substituted phospholane catalysts | DEGUSSA (DE) | 2008-03-19 | — | — | CN | disclosed |
| US-7009065-B2 | Ferrocenyl ligands and the use thereof in catalysis | DEGUSSA AG (DE) | 2006-03-07 | — | — | US | disclosed |
| US-20050234253-A1 | Ferrocenyl ligands and the use thereof in catalysis | DEGUSSA AG (DE) | 2005-10-20 | — | — | US | disclosed |