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 | |
|---|---|---|---|---|
| SCHEMBL868739 | 0.97 | — | — | |
| Carbamic Acid SCHEMBL16013789 | 0.92 | NPC1 (0.42) | — | |
| SCHEMBL13737752 | 0.77 | TSHR (0.48) | — | |
| SCHEMBL26924598 | 0.75 | TSHR (0.47) | — | |
| SCHEMBL28515744 | 0.75 | TSHR (0.47) | — | |
| SCHEMBL291486 | 0.75 | NPC1 (0.48) | — | |
| SCHEMBL1401583 | 0.75 | NPC1 (0.48) | — | |
| SCHEMBL28715324 | 0.73 | TSHR (0.55) | — | |
| SCHEMBL27166334 | 0.73 | TSHR (0.55) | — | |
| SCHEMBL3396142 | 0.72 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1190869-A | Potentiation of microbicidal activity using an N-alkyl heterocyclic compound | BUCKMAN LABOR INC (US) | 1998-08-19 | — | — | CN | claimed |
| JP-9136304-A | — | — | None | — | — | JP | disclosed |
| CN-1190869-A | Potentiation of microbicidal activity using an N-alkyl heterocyclic compound | BUCKMAN LABOR INC (US) | 1998-08-19 | — | — | CN | disclosed |
| JP-H09136304-A | INSECT-PROOFING WOOD BOARD | SUMITOMO CHEM CO LTD | 1997-05-27 | — | — | JP | disclosed |