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 | |
|---|---|---|---|---|
| SCHEMBL170478 | 0.95 | — | — | |
| SCHEMBL17836034 | 0.90 | — | — | |
| SCHEMBL17836039 | 0.90 | — | — | |
| SCHEMBL17836041 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL3189742 | 0.90 | — | — | |
| Bromide SCHEMBL1434109 | 0.90 | — | — | |
| SCHEMBL6656811 | 0.73 | — | — | |
| SCHEMBL956285 | 0.73 | LPAR3 (0.34) | — | |
| SCHEMBL23546 | 0.67 | — | — | |
| SCHEMBL891204 | 0.64 | — | — |
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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1687282-A2 | CARBON-CARBON CROSS COUPLING CATALYZED BY TRANSITION METALS ON SOLID SUPPORTS | Wyeth (US) | 2006-08-09 | — | — | EP | claimed |
| US-20050137438-A1 | Carbon-carbon cross coupling catalyzed by transition metals on solid supports | WYETH (US) | 2005-06-23 | — | — | US | claimed |
| WO-2005051869-A2 | CARBON-CARBON CROSS COUPLING CATALYZED BY TRANSITION METALS ON SOLID SUPPORTS | WYETH (US) | 2005-06-09 | — | — | WO | claimed |
| WO-2021130515-A1 | STRUCTURALLY SIMPLIFIED DIAZONAMIDE ANALOGS AS ANTIMITOTIC AGENTS | LATVIAN INSTITUTE OF ORGANIC SYNTHESIS (LV) | 2021-07-01 | — | — | WO | disclosed |
| CN-109328199-B | The manufacturing method of catalyst | 宝理塑料株式会社 | 2019-10-18 | — | — | CN | disclosed |
| CN-109328199-A | The manufacturing method of catalyst | 宝理塑料株式会社 | 2019-02-12 | — | — | CN | disclosed |
| US-7902218-B2 | Inhibit production of A beta -peptide; neurological disorders, Alzheimer's disease; (S)-2-((S)-3-Acetamido-3-((R)-sec-butyl)-2-oxopyrrolidin-1-yl)-N-((1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-1,2,3,4-tetrahydroisoquinolin-3-yl)propan-2-yl)-4-phenylbutanamide | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-03-08 | — | — | US | disclosed |
| US-7557137-B2 | Gamma-lactams as beta-secretase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-07-07 | — | — | US | disclosed |
| US-20080153868-A1 | Substituted Tetrahydroisoquinolines as Beta-secretase Inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2008-06-26 | — | — | US | disclosed |
| US-7388007-B2 | Gamma-lactams as beta-secretase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-06-17 | — | — | US | disclosed |
| US-7381856-B2 | Carbon-carbon cross coupling catalyzed by transition metals on solid supports | WYETH (US) | 2008-06-03 | — | — | US | disclosed |
| WO-2006026204-A2 | NOVEL GAMMA-LACTAMS AS BETA-SECRETASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-03-09 | — | — | WO | disclosed |
| US-20060046984-A1 | Novel gamma-lactams as beta-secretase inhibitors | THOMPSON LORIN A III | 2006-03-02 | — | — | US | disclosed |
| EP-1551801-A1 | NOVEL GAMMA-LACTAMS AS BETA-SECRETASE INHIBITORS | Bristol-Myers Squibb Company (US) | 2005-07-13 | — | — | EP | disclosed |
| US-20050137438-A1 | Carbon-carbon cross coupling catalyzed by transition metals on solid supports | WYETH (US) | 2005-06-23 | — | — | US | disclosed |
| WO-2005051869-A2 | CARBON-CARBON CROSS COUPLING CATALYZED BY TRANSITION METALS ON SOLID SUPPORTS | WYETH (US) | 2005-06-09 | — | — | WO | disclosed |
| WO-2004013098-A1 | NOVEL GAMMA-LACTAMS AS BETA-SECRETASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-02-12 | — | — | WO | disclosed |
| US-6583260-B2 | Such as 2-(N,N-dimethylaminomethyl)-1,3- butadiene); for use in adhesives, sealants, surfactants, elastomers, ionomers, coatings and membranes | IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. | 2003-06-24 | — | — | US | disclosed |
| US-20020151673-A1 | Functionalized diene monomers and polymers containing functionalized dienes and methods for their preparation | SHEARES VALERIE V (US) | 2002-10-17 | — | — | US | disclosed |
| US-6344538-B1 | REACTION OF 3-BROMOMETHYL-2,5-HYDROTHIOPHENE-1,1-DIOXIDE WITH NUCLEOPHILE WITH AMINE, HYDROXY, CARBOXY ACID, ESTER OR NITRILE | IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. | 2002-02-05 | — | — | US | disclosed |