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 | |
|---|---|---|---|---|
| SCHEMBL9792991 | 0.94 | TSHR (0.56) | — | |
| SCHEMBL3133708 | 0.94 | TSHR (0.56) | — | |
| SCHEMBL31186546 | 0.94 | — | — | |
| SCHEMBL5144293 | 0.94 | — | — | |
| SCHEMBL23012 | 0.94 | — | — | |
| Fluoride SCHEMBL27640108 | 0.94 | — | — | |
| SCHEMBL8123592 | 0.94 | TSHR (0.56) | — | |
| Oxirane SCHEMBL3845526 | 0.94 | — | — | |
| SCHEMBL23928248 | 0.89 | — | — | |
| SCHEMBL4817267 | 0.89 | TSHR (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8916717-B2 | Dioxaspiroketal derivatives, process for their preparation and uses thereof | CONSIGLIO NAZIONALE DELLE RICERCHE (IT) | 2014-12-23 | — | — | US | disclosed |
| EP-2027115-B1 | DIOXASPIROKETAL DERIVATIVES, PROCESS FOR THEIR PREPARATION AND USES THEREOF | CNR CONSIGLIO NAZ DELLE RICERCHE (IT) | 2012-01-11 | — | — | EP | disclosed |
| US-20100227919-A1 | Dioxaspiroketal Derivatives, Process for Their Preparation and Uses Thereof | CONSIGLIO NAZIONALE DELLE RICERCHE | 2010-09-09 | — | — | US | disclosed |
| EP-2027115-A1 | DIOXASPIROKETAL DERIVATIVES, PROCESS FOR THEIR PREPARATION AND USES THEREOF | CNR Consiglio Nazionale Delle Ricerche (IT) | 2009-02-25 | — | — | EP | disclosed |
| WO-2007132496-A1 | DIOXASPIROKETAL DERIVATIVES, PROCESS FOR THEIR PREPARATION AND USES THEREOF | CONSIGLIO NAZIONALE DELLE RICERCHE (IT) | 2007-11-22 | — | — | WO | disclosed |