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 | |
|---|---|---|---|---|
| Iodide SCHEMBL28890865 | 0.87 | — | — | |
| Iodide SCHEMBL11624574 | 0.87 | — | — | |
| Water SCHEMBL16439996 | 0.82 | — | — | |
| Iodide SCHEMBL362255 | 0.82 | — | — | |
| Iodide SCHEMBL2590887 | 0.82 | — | — | |
| Iodide SCHEMBL23930525 | 0.82 | — | — | |
| Water SCHEMBL21612684 | 0.82 | — | — | |
| Water SCHEMBL21352203 | 0.82 | — | — | |
| Water SCHEMBL21568686 | 0.82 | — | — | |
| Water SCHEMBL9279752 | 0.82 | — | — |
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-100430386-C | Phenylalanine derivatives as depeptidyl peptidase inhibitors for the treatment or prevention of diabetes | MERCK & CO INC (US) | 2008-11-05 | — | — | CN | disclosed |
| CN-1735605-A | Phenylalanine derivative is used for the treatment of or prevent diabetes as depeptidyl peptidase inhibitors | MERCK & CO INC (US) | 2006-02-15 | — | — | CN | disclosed |