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 | |
|---|---|---|---|---|
| SCHEMBL9623859 | 0.91 | — | — | |
| SCHEMBL5697098 | 0.91 | — | — | |
| SCHEMBL20526664 | 0.91 | — | — | |
| SCHEMBL9623601 | 0.91 | — | — | |
| SCHEMBL867332 | 0.91 | — | — | |
| SCHEMBL25309793 | 0.91 | — | — | |
| SCHEMBL9623851 | 0.91 | — | — | |
| SCHEMBL20549279 | 0.91 | — | — | |
| Water SCHEMBL4614693 | 0.91 | — | — | |
| SCHEMBL101744 | 0.91 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070043039-A1 | Substituted quinobenzoxazine analogs | CYLENE PHARMACEUTICALS, INC. | 2007-02-22 | — | — | US | claimed |