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 | |
|---|---|---|---|---|
| SCHEMBL1141917 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL15771120 | 0.93 | — | — | |
| Bromide SCHEMBL15771846 | 0.93 | — | — | |
| SCHEMBL393949 | 0.67 | ALDH1A1 (0.40) | — | |
| Iodide SCHEMBL27793088 | 0.67 | — | — | |
| SCHEMBL9421276 | 0.67 | — | — | |
| Iodide SCHEMBL3246741 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL7924149 | 0.65 | ALDH1A1 (0.38) | — | |
| SCHEMBL5846438 | 0.62 | — | — | |
| SCHEMBL28838098 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101638355-B | Method for synthesizing multi-substituted 1-naphthol | UNIV ZHEJIANG | 2012-08-01 | — | — | CN | disclosed |
| CN-101638355-A | Method for synthesizing multi-substituted 1-naphthol | UNIV ZHEJIANG | 2010-02-03 | — | — | CN | disclosed |