⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18611 | 0.74 | LRRK2 (0.46) | — | |
| SCHEMBL29533314 | 0.74 | LRRK2 (0.46) | — | |
| SCHEMBL2969568 | 0.73 | — | — | |
| SCHEMBL304561 | 0.73 | — | — | |
| SCHEMBL363772 | 0.73 | — | — | |
| SCHEMBL391339 | 0.73 | — | — | |
| SCHEMBL130043 | 0.73 | — | — | |
| SCHEMBL3441158 | 0.73 | — | — | |
| SCHEMBL323572 | 0.73 | — | — | |
| SCHEMBL29435709 | 0.73 | — | — |
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 68 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4273147-A1 | SUBSTITUTED SPIROLACTAMS, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES | Bayer Aktiengesellschaft (DE) | 2023-11-08 | — | — | 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 |
| 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-7645763-B2 | dipeptidylpeptidase-IV inhibitors; antidiabetic agents, antiarthritic agents, obesity, allograft transplantation, and osteoporosis caused by calcitonin; 1,3-disubstituted-7-(2-butyn-1-yl)-8-(3-aminopiperidin-1-yl)-xanthine compounds | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2010-01-12 | — | — | US | claimed |
| US-7629342-B2 | Regulation of appetite, antiemetics, immunosuppression, analgesia, inflammation, antinocioception, sedation, and intraocular pressure; synergistic; 2-(4-(Trifluoromethyl)benzyl)-7,8-bis(4-chlorophenyl)-6-(methylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-12-08 | — | — | US | claimed |
| EP-2119717-A1 | 8-[3-amino-piperidin-1-yl]-xanthins, their production and utilisation as DPP IV inhibitors | Boehringer Ingelheim International GmbH (DE) | 2009-11-18 | — | — | EP | claimed |
| US-20090137801-A1 | 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-05-28 | — | — | US | claimed |
| EP-1982986-A1 | PYRROLOPYRIDAZINONE COMPOUND | Ube Industries, Ltd. (JP) | 2008-10-22 | — | — | EP | claimed |
| EP-1891074-A1 | AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS | Brystol-Myers Squibb Company (US) | 2008-02-27 | — | — | EP | 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 |
| WO-2006138682-A1 | AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-12-28 | — | — | WO | claimed |
| US-20060287323-A1 | Azabicyclic heterocycles as cannabinoid receptor modulators | BRISTOL-MYERS SQUIBB COMPANY | 2006-12-21 | — | — | US | 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 |