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 | |
|---|---|---|---|---|
| SCHEMBL811225 | 0.97 | — | — | |
| SCHEMBL1952217 | 0.97 | — | — | |
| SCHEMBL1953731 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL5379077 | 0.94 | — | — | |
| Bromide SCHEMBL5573171 | 0.94 | — | — | |
| Fluoride SCHEMBL5574127 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL5572501 | 0.94 | — | — | |
| Sulfuric Acid SCHEMBL3838035 | 0.83 | TP53 (0.38) | — | |
| Perchlorate SCHEMBL3836138 | 0.83 | — | — | |
| Phosphoric Acid SCHEMBL3833488 | 0.83 | LAP3 (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7193102-B2 | Process for the racemate resolution of 3-aminopentanenitrile | BAYER AKTIENGESELLSCHAFT (DE) | 2007-03-20 | — | — | US | disclosed |
| US-20040087811-A1 | Process for the racemate resolution of 3-aminopentanenitrile | LANXESS DEUTSCHLAND GMBH (DE) | 2004-05-06 | — | — | US | disclosed |