⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29740319 | 0.73 | CYP19A1 (0.44) | — | |
| SCHEMBL16841 | 0.71 | — | — | |
| SCHEMBL29411198 | 0.71 | — | — | |
| SCHEMBL3171651 | 0.67 | — | — | |
| SCHEMBL3701184 | 0.67 | — | — | |
| SCHEMBL102205 | 0.67 | — | — | |
| SCHEMBL6234509 | 0.67 | — | — | |
| SCHEMBL502933 | 0.67 | — | — | |
| SCHEMBL189127 | 0.67 | — | — | |
| SCHEMBL132151 | 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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10934290-B2 | Donor-acceptor nanohoop compounds and methods of making and using the same | UNIVERSITY OF OREGON (US) | 2021-03-02 | — | — | US | disclosed |
| US-20160372684-A1 | DONOR-ACCEPTOR NANOHOOP COMPOUNDS AND METHODS OF MAKING AND USING THE SAME | UNIVERSITY OF OREGON | 2016-12-22 | — | — | US | disclosed |
| EP-1409460-B1 | NOVEL SYNTHESIS OF HETEROARYLAMINE INTERMEDIATE COMPOUNDS | BOEHRINGER INGELHEIM PHARMA (US) | 2010-03-24 | — | — | EP | disclosed |
| US-6822093-B2 | REACTING 2-IODO-5-BROMO -PYRIDINE OR -PYRIMIDINE WITH AN ALKYLMAGNESIUM HALIDE GRIGNARD REAGENT AND REACTING THE PRODUCT WITH AN ELECTROPHILICALLY-SUBSTITUTED ARYL OR HETEROARYL COMPOUND (E.G., METHYLENEDIMORPHOLINE) | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. | 2004-11-23 | — | — | US | disclosed |
| EP-1409460-A1 | NOVEL SYNTHESIS OF HETEROARYLAMINE INTERMEDIATE COMPOUNDS | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 2004-04-21 | — | — | EP | disclosed |
| US-6635767-B2 | Using 2-(5-hal(pyridyl or pyrimidinyl)magnesium halide | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. | 2003-10-21 | — | — | US | disclosed |
| US-6613909-B2 | Such as 5-bromo-2-iodopyridine; for production inhibitors in therapy for cytokine-mediated diseases (inflammatory and autoimmune diseases) | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. | 2003-09-02 | — | — | US | disclosed |
| US-20030135046-A1 | Synthesis of heteroarylamine intermediate compounds | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2003-07-17 | — | — | US | disclosed |
| US-6593471-B2 | Preparation of aryl- or heterroaryl-substituted aminoaryl-pyridines and pyrimidines using Grignard reagents and protected aminoarylboronic acids. | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. | 2003-07-15 | — | — | US | disclosed |
| US-6590099-B2 | Reacting 5-halo-2-substituted pyridines and pyrimidines magnesium to form Grignard compound which is reacted withN,N-dialkylformamide to form an aldehyde, reacting under acidic condition to form heteroarylamine compound | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. | 2003-07-08 | — | — | US | disclosed |
| US-6420565-B2 | REACTING BUTYLLITHIUM WITH 2,5-DIHALOPYRIDINE IN A NON-COORDINATING SOLVENT | MERCK & CO., INC. | 2002-07-16 | — | — | US | disclosed |
| US-20020077475-A1 | Novel synthesis of heteroarylamine intermediate compounds | SONG JINHUA J (US) | 2002-06-20 | — | — | US | disclosed |
| US-20020068826-A1 | Novel synthesis of heteroarylamine intermediate compounds | SONG JINHUA J (US) | 2002-06-06 | — | — | US | disclosed |
| US-20020049333-A1 | Pyridine intermediate compound | SONG JINHUA J (US) | 2002-04-25 | — | — | US | disclosed |
| US-20020045754-A1 | Novel synthesis of heteroarylamine intermediate compounds | SONG JINHUA J (US) | 2002-04-18 | — | — | US | disclosed |
| US-20020016470-A1 | Process for making 2, 5-Substituted pyridine | MERCK FROSST CANADA LTD. (CA) | 2002-02-07 | — | — | US | disclosed |
| US-20010053850-A1 | Novel synthesis of heteroarylamine intermediate compounds | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. | 2001-12-20 | — | — | US | disclosed |
| WO-2001090072-A1 | NOVEL SYNTHESIS OF HETEROARYLAMINE INTERMEDIATE COMPOUNDS | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2001-11-29 | — | — | WO | disclosed |