⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16289163 | 0.76 | — | — | |
| SCHEMBL12630708 | 0.73 | CHEK1 (0.51) | — | |
| SCHEMBL1026572 | 0.73 | ALDH1A1 (0.48) | — | |
| SCHEMBL1145498 | 0.73 | NSD2 (0.38) | — | |
| SCHEMBL16289565 | 0.73 | GRM5 (0.35) | — | |
| SCHEMBL1145961 | 0.71 | — | — | |
| SCHEMBL42349 | 0.71 | — | — | |
| SCHEMBL156136 | 0.71 | — | — | |
| SCHEMBL312264 | 0.71 | — | — | |
| SCHEMBL1145963 | 0.71 | — | — |
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 276 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20190053492-A1 | SUBSTITUTED PYRIDINE COMPOUNDS AS PESTICIDES | BAYER CROPSCIENCE AG (DE) | 2019-02-21 | — | — | US | claimed |
| EP-3429997-A1 | N-(CYANOBENZYL)-6-(CYCLOPROPYL-CARBONYLAMINO)-4-(PHENYL)-PYRIDINE-2-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS PESTICIDES AND PLANT PROTECTION AGENTS | Bayer CropScience Aktiengesellschaft (DE) | 2019-01-23 | — | — | EP | claimed |
| EP-2119717-B1 | 8-[3-amino-piperidin-1-yl]-xanthins, their production and utilisation as DPP IV inhibitors | BOEHRINGER INGELHEIM INT (DE) | 2018-01-17 | — | — | EP | claimed |
| WO-2017157885-A1 | N-(CYANOBENZYL)-6-(CYCLOPROPYL-CARBONYLAMINO)-4-(PHENYL)-PYRIDINE-2-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS PESTICIDES AND PLANT PROTECTION AGENTS | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2017-09-21 | — | — | WO | claimed |
| US-8697868-B2 | 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-04-15 | — | — | US | claimed |
| US-8450319-B2 | Pyrrolopyridazinone compound | UBE INDUSTRIES, LTD. (JP) | 2013-05-28 | — | — | US | claimed |
| EP-1982986-B1 | PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR | UBE INDUSTRIES (JP) | 2012-03-07 | — | — | EP | claimed |
| JP-4733058-B2 | — | — | 2011-07-27 | — | — | JP | claimed |
| US-7939534-B2 | e.g. (2-{[2-(3-fluorophenyl)ethyl]amino}-6-piperidyl(3-pyridyl))-N-(3-pyridylmethyl)carboxamide; smooth muscle myosin or non-muscle myosin modulator; hypotensive agent; asthma, chronic obstructive pulmonary disease, bronchoconstrictive disease, glaucoma, pre-menstrual cramps, erectile dysfunction | CYTOKINETICS, INC. (US) | 2011-05-10 | — | — | US | claimed |
| US-7939548-B2 | Aminopyridines, e.g.,N-{[6-(aminomethyl)(2-pyridyl)]methyl}(2-{[2-(3-fluorophenyl)ethyl]amino}-5-(3-pyridyl)(3-pyridyl))carboxamide; smooth muscle myosin or non-muscle myosin modulator; hypotensive agent; asthma, COPD, bronchoconstrictive disease, glaucoma, pre-menstrual cramps, erectile dysfunction | CYTOKINETICS, INC. (US) | 2011-05-10 | — | — | US | claimed |
| EP-1982986-A1 | PYRROLOPYRIDAZINONE COMPOUND | Ube Industries, Ltd. (JP) | 2008-10-22 | — | — | EP | claimed |
| US-20080139575-A1 | Certain chemical entities, compositions, and methods | CYTOKINETICS, INC. | 2008-06-12 | — | — | US | claimed |
| US-20080132545-A1 | Certain chemical entities, compositions, and methods | CYTOKINETICS, INC. | 2008-06-05 | — | — | US | claimed |
| WO-2008016643-A2 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | CYTOKINETICS, INCORPORATED (US) | 2008-02-07 | — | — | WO | claimed |
| EP-1758905-A1 | 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINE, THE PRODUCTION THEREOF AND THE USE IN THE FORM OF A DDP-IV INHIBITOR | Boehringer Ingelheim International GmbH (DE) | 2007-03-07 | — | — | EP | claimed |
| EP-1720875-A1 | 8- [3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PRODUCTION THEREOF, AND THE USE OF THE SAME AS MEDICAMENTS | Boehringer Ingelheim International GmbH (DE) | 2006-11-15 | — | — | EP | claimed |
| US-20050234108-A1 | 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-10-20 | — | — | US | claimed |
| WO-2005085246-A1 | 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINE, THE PRODUCTION THEREOF AND THE USE IN THE FORM OF A DPP INHIBITOR | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-09-15 | — | — | WO | claimed |
| WO-2005082906-A1 | 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PRODUCTION THEREOF, AND THE USE OF THE SAME AS MEDICAMENTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-09-09 | — | — | WO | claimed |
| US-20050187227-A1 | 8-[3-Amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical composition | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2005-08-25 | — | — | US | claimed |