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 | |
|---|---|---|---|---|
| SCHEMBL15840 | 0.94 | — | — | |
| SCHEMBL30987951 | 0.94 | — | — | |
| Fluoride SCHEMBL29069177 | 0.89 | — | — | |
| SCHEMBL1487518 | 0.89 | — | — | |
| Methane SCHEMBL27645814 | 0.89 | — | — | |
| Ammonia Solution, Strong SCHEMBL8981641 | 0.89 | — | — | |
| SCHEMBL10536781 | 0.89 | — | — | |
| SCHEMBL129317 | 0.89 | — | — | |
| Lithium SCHEMBL30216965 | 0.89 | — | — | |
| Water SCHEMBL28215119 | 0.89 | — | — |
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-109734566-B | Method for continuously preparing liquid crystal compound intermediate by using microreactor | 清华大学 | 2020-08-21 | — | — | CN | disclosed |