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 SCHEMBL7533245 | 0.96 | DNM1 (0.57) | — | |
| SCHEMBL3198035 | 0.96 | — | — | |
| SCHEMBL15468548 | 0.92 | DNM1 (0.61) | — | |
| SCHEMBL9226609 | 0.92 | — | — | |
| SCHEMBL8737675 | 0.92 | — | — | |
| SCHEMBL13972062 | 0.92 | DNM1 (0.61) | — | |
| SCHEMBL2228163 | 0.92 | DNM1 (0.61) | — | |
| SCHEMBL20869748 | 0.92 | DNM1 (0.61) | — | |
| SCHEMBL21334359 | 0.92 | — | — | |
| SCHEMBL7530893 | 0.92 | DNM1 (0.61) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0722434-B1 | NITRIC ESTERS HAVING ANTI-INFLAMMATORY AND/OR ANALGESIC ACTIVITY AND PROCESS FOR THEIR PREPARATION | NICOX SA (FR) | 1998-07-29 | — | — | EP | disclosed |
| US-5780495-A | Nitric esters having anti-inflammatory and/or analgesic activity and process for their preparation | NICOX S.A. (FR) | 1998-07-14 | — | — | US | disclosed |
| US-5700947-A | HAVING REDUCED SIDE EFFECTS | NICOX S.A. (FR) | 1997-12-23 | — | — | US | disclosed |
| EP-0722434-A1 | NITRIC ESTERS HAVING ANTI-INFLAMMATORY AND/OR ANALGESIC ACTIVITY AND PROCESS FOR THEIR PREPARATION | NICOX S.A. (FR) | 1996-07-24 | — | — | EP | disclosed |
| WO-1995009831-A1 | NITRIC ESTERS HAVING ANTI-INFLAMMATORY AND/OR ANALGESIC ACTIVITY AND PROCESS FOR THEIR PREPARATION | NICOX S.A. (FR) | 1995-04-13 | — | — | WO | disclosed |