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 | |
|---|---|---|---|---|
| SCHEMBL29427037 | 0.97 | — | — | |
| SCHEMBL14127433 | 0.97 | — | — | |
| SCHEMBL9840 | 0.97 | — | — | |
| Benzene SCHEMBL28125416 | 0.94 | ALDH1A1 (0.94) | — | |
| Water SCHEMBL28006115 | 0.94 | — | — | |
| Fluoride SCHEMBL27279471 | 0.94 | — | — | |
| Phosphine SCHEMBL9803033 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL4260010 | 0.94 | — | — | |
| Bromide SCHEMBL29030286 | 0.94 | ALDH1A1 (0.94) | — | |
| SCHEMBL29077748 | 0.94 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105016963-A | Synthetic method of 2-bromo-5-iodotoluene | JIANGSU VICITORIES CHEMICALS CO LTD | 2015-11-04 | — | — | CN | disclosed |
| CN-101541796-B | Novel substituted diaza spiro pyridinone derivatives for use in MCH-1 mediated diseases | JANSSEN PHARMACEUTICA NV | 2012-11-07 | — | — | CN | disclosed |
| CN-101541796-A | Novel substituted diaza spiro pyridinone derivatives for use in MCH-1 mediated diseases | JANSSEN PHARMACEUTICA NV (BE) | 2009-09-23 | — | — | CN | disclosed |
| CN-1281433-A | Hydroxamic acid derivatives as matrix metalloproteinase (MMP) inhibitors | PFIZER LTD (US) | 2001-01-24 | — | — | CN | disclosed |
| CN-1066070-A | Promote the new benzo-fused lactams that tethelin discharges | MERCK & CO INC (US) | 1992-11-11 | — | — | CN | disclosed |