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 | |
|---|---|---|---|---|
| SCHEMBL148907 | 0.93 | — | — | |
| SCHEMBL7931925 | 0.86 | — | — | |
| SCHEMBL3287689 | 0.86 | — | — | |
| SCHEMBL542912 | 0.86 | — | — | |
| SCHEMBL11433982 | 0.86 | — | — | |
| SCHEMBL10355564 | 0.86 | — | — | |
| SCHEMBL11457243 | 0.80 | — | — | |
| Iodide SCHEMBL11040291 | 0.76 | — | — | |
| Cyclohexane SCHEMBL3231517 | 0.76 | CES2 (0.35) | — | |
| Iodide SCHEMBL6938496 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-117843667-A | Asymmetric fulvene- [ b ] -condensed BODIPY fluorescent compound and preparation method thereof | 中国计量大学 | 2024-04-09 | — | — | CN | claimed |