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 | |
|---|---|---|---|---|
| SCHEMBL2216286 | 0.97 | — | — | |
| SCHEMBL29901546 | 0.97 | — | — | |
| Bromide SCHEMBL28499361 | 0.95 | — | — | |
| Iodide SCHEMBL14798201 | 0.89 | HRH1 (0.44) | — | |
| Iodide SCHEMBL14798203 | 0.89 | HRH1 (0.44) | — | |
| SCHEMBL28194856 | 0.78 | — | — | |
| SCHEMBL14141541 | 0.78 | HRH1 (0.42) | — | |
| SCHEMBL230753 | 0.76 | HRH1 (0.73) | — | |
| SCHEMBL29830938 | 0.76 | L3MBTL1 (0.59) | — | |
| SCHEMBL41191 | 0.76 | L3MBTL1 (0.59) | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2763539-B1 | ANTIBACTERIAL COMPOUNDS | GLAXO GROUP LTD (GB) | 2017-02-08 | — | — | EP | disclosed |
| US-9340556-B2 | Antibacterial compounds | GLAXO GROUP LIMITED (GB) | 2016-05-17 | — | — | US | disclosed |
| US-9238657-B2 | Cephalosporin having catechol group | SHIONOGI & CO., LTD. (JP) | 2016-01-19 | — | — | US | disclosed |
| EP-2341053-B1 | CEPHALOSPORIN HAVING CATECHOL GROUP | SHIONOGI & CO (JP) | 2016-01-13 | — | — | EP | disclosed |
| US-20150344502-A1 | CEPHEM COMPOUND | SHIONOGI & CO., LTD. (JP) | 2015-12-03 | — | — | US | disclosed |
| US-9145425-B2 | Cephem compound having catechol group | SHIONOGI & CO., LTD. (JP) | 2015-09-29 | — | — | US | disclosed |
| US-9085589-B2 | Cephem derivative | SHIONOGI & CO., LTD. (JP) | 2015-07-21 | — | — | US | disclosed |
| US-8883773-B2 | Cephem compound having pseudo-catechol group | SHIONOGI & CO., LTD. (JP) | 2014-11-11 | — | — | US | disclosed |
| US-20140249126-A1 | ANTIBACTERIAL COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2014-09-04 | — | — | US | disclosed |
| EP-2763539-A1 | ANTIBACTERIAL COMPOUNDS | Glaxo Group Limited (GB) | 2014-08-13 | — | — | EP | disclosed |
| US-20130102583-A1 | CEPHEM COMPOUND HAVING CATECHOL GROUP | SHIONOGI & CO., LTD. (JP) | 2013-04-25 | — | — | US | disclosed |
| US-20130096299-A1 | NOVEL CEPHEM DERIVATIVE | SHIONOGI & CO., LTD. (JP) | 2013-04-18 | — | — | US | disclosed |
| WO-2013052568-A1 | ANTIBACTERIAL COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2013-04-11 | — | — | WO | disclosed |
| US-20130079319-A1 | CEPHEM COMPOUND HAVING PSEUDO-CATECHOL GROUP | SHIONOGI & CO., LTD. (JP) | 2013-03-28 | — | — | US | disclosed |
| EP-2557082-A1 | CEPHEM COMPOUND HAVING CATECHOL GROUP | Shionogi & Co., Ltd. (JP) | 2013-02-13 | — | — | EP | disclosed |
| US-20110190254-A1 | CEPHALOSPORIN HAVING CATECHOL GROUP | SHIONOGI & CO., LTD. (JP) | 2011-08-04 | — | — | US | disclosed |
| EP-2341053-A1 | CEPHALOSPORIN HAVING CATECHOL GROUP | Shionogi & Co., Ltd. (JP) | 2011-07-06 | — | — | EP | disclosed |