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 SCHEMBL31472572 | 1.00 | — | — | |
| SCHEMBL41477 | 0.95 | LMNA (0.31) | — | |
| SCHEMBL11677641 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL3975024 | 0.91 | — | — | |
| SCHEMBL8647562 | 0.91 | — | — | |
| SCHEMBL15656842 | 0.91 | — | — | |
| SCHEMBL15659711 | 0.91 | — | — | |
| SCHEMBL4330055 | 0.91 | — | — | |
| SCHEMBL1057100 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL11574632 | 0.91 | — | — |
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-101031552-B | Optically active 4, 4-disubstituted oxazolidine derivative and process for producing the same | SANKYO CO | 2010-11-10 | — | — | CN | disclosed |
| US-7547790-B2 | Optically active 4,4-di-substituted oxazolidine derivative and method for producing same | SANKYO COMPANY, LIMITED (JP) | 2009-06-16 | — | — | US | disclosed |
| US-20080108828-A1 | Optically Active 4,4-Di-Substituted Oxazolidine Derivative and Method for Producing Same | SANKYO COMPANY, LIMITED (JP) | 2008-05-08 | — | — | US | disclosed |
| EP-1806344-A1 | OPTICALLY ACTIVE 4,4-DISUBSTITUTED OXAZOLIDINE DERIVATIVE AND METHOD FOR PRODUCING SAME | Sankyo Company, Limited (JP) | 2007-07-11 | — | — | EP | disclosed |