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 | |
|---|---|---|---|---|
| SCHEMBL7694008 | 0.95 | — | — | |
| SCHEMBL4029690 | 0.95 | — | — | |
| SCHEMBL7694011 | 0.63 | — | — | |
| Iodide SCHEMBL5307299 | 0.60 | — | — | |
| Methylsulfanylmethane SCHEMBL3234373 | 0.57 | — | — | |
| SCHEMBL2606737 | 0.56 | — | — | |
| SCHEMBL9518242 | 0.56 | — | — | |
| SCHEMBL1186 | 0.56 | — | — | |
| SCHEMBL9518230 | 0.56 | — | — | |
| SCHEMBL9518232 | 0.56 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022120490-A1 | CYTOCHROME P450 MONOOXYGENASES AND USES THEREOF | THE UNIVERSITY OF BRITISH COLUMBIA (CA) | 2022-06-16 | — | — | WO | disclosed |
| EP-2010527-A1 | 1,5 AND 3,6- SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY | Neuraxon Inc. (CA) | 2009-01-07 | — | — | EP | disclosed |
| WO-2007118314-A1 | 1,5 AND 3,6- SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY | NEURAXON, INC. (CA) | 2007-10-25 | — | — | WO | disclosed |