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 | |
|---|---|---|---|---|
| SCHEMBL18477682 | 0.88 | — | — | |
| SCHEMBL18477681 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL6718829 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL6718832 | 0.87 | — | — | |
| SCHEMBL27032629 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL6725365 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL6725360 | 0.86 | — | — | |
| SCHEMBL27147720 | 0.86 | — | — | |
| SCHEMBL6725187 | 0.84 | — | — | |
| SCHEMBL6725184 | 0.84 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10799850-B2 | Organosilicon material for the decontamination of water | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2020-10-13 | — | — | US | disclosed |
| US-20180207612-A1 | ORGANOSILICON MATERIAL FOR THE DECONTAMINATION OF WATER | L'UNIVERSITÉ DE MONTPELLIER (FR) | 2018-07-26 | — | — | US | disclosed |