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 | |
|---|---|---|---|---|
| SCHEMBL3412399 | 0.97 | — | — | |
| Water SCHEMBL1633102 | 0.93 | — | — | |
| SCHEMBL3414083 | 0.78 | — | — | |
| SCHEMBL24334780 | 0.75 | — | — | |
| SCHEMBL1563429 | 0.73 | CES2 (0.48) | — | |
| SCHEMBL6517088 | 0.73 | CES2 (0.48) | — | |
| SCHEMBL719773 | 0.70 | — | — | |
| SCHEMBL73471 | 0.67 | — | — | |
| SCHEMBL1554574 | 0.67 | CES2 (0.41) | — | |
| SCHEMBL1988432 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5523411-A | Synthesis of mitomycin and its analogs | RUTGERS UNIVERSITY (US) | 1996-06-04 | — | — | US | disclosed |