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 | |
|---|---|---|---|---|
| SCHEMBL620842 | 0.95 | — | — | |
| Iodide SCHEMBL3998948 | 0.92 | — | — | |
| SCHEMBL28193341 | 0.70 | — | — | |
| SCHEMBL21785 | 0.69 | — | — | |
| SCHEMBL17075221 | 0.69 | — | — | |
| SCHEMBL28904204 | 0.69 | — | — | |
| SCHEMBL21097017 | 0.69 | — | — | |
| SCHEMBL11240236 | 0.67 | — | — | |
| SCHEMBL11343243 | 0.67 | CRBN (0.31) | — | |
| Iodide SCHEMBL11727191 | 0.67 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3281941-B1 | PROCESS FOR PREPARING 2-(5-BROMO-4-(1-CYCLOPROPYLNAPHTHALEN-4-YL)-4H-1,2,4-TRIAZOL-3-YLTHIO)ACETIC ACID | ZENTIVA KS (CZ) | 2019-07-24 | — | — | EP | disclosed |
| EP-3281941-A1 | PROCESS FOR PREPARING 2-(5-BROMO-4-(1-CYCLOPROPYLNAPHTHALEN-4-YL)-4H-1,2,4-TRIAZOL-3-YLTHIO)ACETIC ACID | Zentiva K.S. (CZ) | 2018-02-14 | — | — | EP | disclosed |
| EP-1871762-A2 | SUBTITUTED HETEROARYL CB1 ANTAGONISTS | NEUROGEN CORPORATION (US) | 2008-01-02 | — | — | EP | disclosed |
| US-20070078135-A1 | Substituted heteroaryl CB1 antagonists | NEUROGEN CORPORATION (US) | 2007-04-05 | — | — | US | disclosed |
| WO-2006113704-A2 | SUBTITUTED HETEROARYL CB1 ANTAGONISTS | NEUROGEN CORPORATION (US) | 2006-10-26 | — | — | WO | disclosed |
| EP-0088109-A4 | ANTIINFLAMMATORY SUBSTITUTED-1,2,4-TRIAZOLO(4,3-b)-1,2,4-TRIAZINES. | DIAMOND SHAMROCK CORP (US) | 1984-07-06 | — | — | EP | disclosed |
| US-4405619-A | ANALGESICS | DIAMOND SHAMROCK CORPORATION (US) | 1983-09-20 | — | — | US | disclosed |
| EP-0088109-A1 | ANTIINFLAMMATORY SUBSTITUTED-1,2,4-TRIAZOLO(4,3-b)-1,2,4-TRIAZINES | DIAMOND SHAMROCK CORPORATION (US) | 1983-09-14 | — | — | EP | disclosed |
| WO-1983000864-A1 | ANTIINFLAMMATORY SUBSTITUTED-1,2,4-TRIAZOLOAD4,3-bBD-1,2,4-TRIAZINES | DIAMOND SHAMROCK CORP (US) | 1983-03-17 | — | — | WO | disclosed |
| US-4310551-A | Pharmacologically active substituted 1,2,4-triazines | DIAMOND SHAMROCK CORPORATION (US) | 1982-01-12 | — | — | US | disclosed |
| US-4251527-A | ANTIINFLAMMATORY AGENTS | DIAMOND SHAMROCK CORPORATION (US) | 1981-02-17 | — | — | US | disclosed |
| US-4157392-A | HYPOTENSIVE AGENTS, ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS AND NERVOUS SYSTEM EFFECTS | DIAMOND SHAMROCK CORPORATION (US) | 1979-06-05 | — | — | US | disclosed |
| US-4105434-A | Herbicidal 5,5'-bis-1,2,4-triazinyls | DIAMOND SHAMROCK CORPORATION (US) | 1978-08-08 | — | — | US | disclosed |