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 | |
|---|---|---|---|---|
| SCHEMBL124725 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL7866395 | 0.80 | — | — | |
| Bromide SCHEMBL1482070 | 0.80 | — | — | |
| SCHEMBL10791853 | 0.68 | — | — | |
| SCHEMBL2329288 | 0.67 | — | — | |
| Lithium SCHEMBL31568076 | 0.60 | — | — | |
| SCHEMBL31239410 | 0.55 | — | — | |
| SCHEMBL31239375 | 0.55 | — | — | |
| SCHEMBL31239520 | 0.55 | — | — | |
| Ethane SCHEMBL11419591 | 0.52 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1253152-B1 | METHOD OF CONVERTING FUNCTIONAL GROUP THROUGH HALOGEN-METAL EXCHANGE REACTION | BANYU PHARMA CO LTD (JP) | 2009-11-04 | — | — | EP | disclosed |
| US-7439535-B2 | Process for exchanging functional groups by halogen-metal exchange reaction | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2008-10-21 | — | — | US | disclosed |
| US-6946559-B2 | Replacing a halogen atom with an electrophilic group (e.g., a formyl group) using either a mixture of an organomagnesium halide and an alkyllithium or a reaction product of the two, such as trialkylmagnesium lithium | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2005-09-20 | — | — | US | disclosed |
| US-20050156336-A1 | Process for exchanging functional groups by halogen-metal exchange reaction | MSD K.K. (JP) | 2005-07-21 | — | — | US | disclosed |
| US-20030130511-A1 | Method of converting functional group through halogen-metal exchange reaction | MSD K.K. (JP) | 2003-07-10 | — | — | US | disclosed |
| EP-1253152-A1 | METHOD OF CONVERTING FUNCTIONAL GROUP THROUGH HALOGEN-METAL EXCHANGE REACTION | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2002-10-30 | — | — | EP | disclosed |