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 | |
|---|---|---|---|---|
| SCHEMBL12282769 | 0.95 | — | — | |
| SCHEMBL9971058 | 0.95 | — | — | |
| SCHEMBL22442 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL3767223 | 0.91 | — | — | |
| Iodide SCHEMBL9536878 | 0.76 | — | — | |
| SCHEMBL307359 | 0.70 | — | — | |
| SCHEMBL12027533 | 0.70 | — | — | |
| SCHEMBL21038069 | 0.70 | — | — | |
| SCHEMBL19832497 | 0.70 | — | — | |
| Iodide SCHEMBL7273100 | 0.70 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011059803-A2 | RUTHENIUM-ALKYLIDENES CONTAINING ACYCLIC DIAMINOCARBENES FOR OBTAINING LOW E/Z RATIOS IN CROSS METATHESIS | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2011-05-19 | — | — | WO | disclosed |