⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1963930 | 0.78 | — | — | |
| SCHEMBL722540 | 0.78 | — | — | |
| SCHEMBL40876 | 0.78 | — | — | |
| SCHEMBL424166 | 0.68 | — | — | |
| SCHEMBL13563188 | 0.68 | — | — | |
| SCHEMBL9912214 | 0.68 | — | — | |
| SCHEMBL596776 | 0.67 | — | — | |
| SCHEMBL955964 | 0.67 | — | — | |
| SCHEMBL10734069 | 0.65 | — | — | |
| SCHEMBL16522566 | 0.65 | — | — |
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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1761517-B1 | NOVEL IMIDAZOLES AND TRIAZOLES, THE PRODUCTION THEREOF, AND THE USE OF THE SAME AS MEDICAMENTS | BOEHRINGER INGELHEIM INT (DE) | 2014-09-24 | — | — | EP | disclosed |
| US-20140057901-A1 | XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2014-02-27 | — | — | US | disclosed |
| EP-2298769-B1 | Xanthin derivatives, their production and utilisation as medicine | BOEHRINGER INGELHEIM PHARMA (DE) | 2013-10-30 | — | — | EP | disclosed |
| US-20130165428-A1 | XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2013-06-27 | — | — | US | disclosed |
| EP-1953162-B9 | Xanthin derivatives, their production and utilisation as medicine | BOEHRINGER INGELHEIM PHARMA (DE) | 2012-10-31 | — | — | EP | disclosed |
| US-20120252782-A1 | Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions | BOEHRINGER INGELHEIM PHARMA GMBH AND CO. KG (DE) | 2012-10-04 | — | — | US | disclosed |
| US-20120252783-A1 | Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM PHARMA & CO. KG (DE) | 2012-10-04 | — | — | US | disclosed |
| EP-1953162-B1 | Xanthin derivatives, their production and utilisation as medicine | BOEHRINGER INGELHEIM PHARMA (DE) | 2012-06-20 | — | — | EP | disclosed |
| US-20120040982-A1 | Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM PHARMA & CO. KG (DE) | 2012-02-16 | — | — | US | disclosed |
| US-20120035158-A1 | Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions | BOEHRINGER INGELHEIM PHARMA GMBH AND CO. KG (DE) | 2012-02-09 | — | — | US | disclosed |
| WO-2005087774-A1 | IMIDAZOPYRIDAZINE DIONES, THE PRODUCTION THEREOF, AND THE USE OF THE SAME AS A MEDICAMENT | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-09-22 | — | — | WO | disclosed |
| US-20050203095-A1 | Imidazopyridazinediones, their preparation and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-09-15 | — | — | US | disclosed |
| EP-1562946-A1 | NOVEL XANTHINE DERIVATIVES, THE PRODUCTION AND THE USE THEREOF IN THE FORM OF DRUGS | Boehringer Ingelheim Pharma GmbH & Co. KG (DE) | 2005-08-17 | — | — | EP | disclosed |
| US-20040138214-A1 | Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2004-07-15 | — | — | US | disclosed |
| WO-2004041820-A1 | NOVEL XANTHINE DERIVATIVES, THE PRODUCTION AND THE USE THEREOF IN THE FORM OF DRUGS | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2004-05-21 | — | — | WO | disclosed |
| US-20040087587-A1 | Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2004-05-06 | — | — | US | disclosed |
| US-20040077645-A1 | Dipeptidyl aminopeptidase inhibitors; diabetes mellitus, arthritis, obesity, allograft transplantation and osteoporosis treatment | BOEHRINGER INGELHEIM PHARMA GMBH & CO KG (DE) | 2004-04-22 | — | — | US | disclosed |
| EP-1368349-A1 | XANTHINE DERIVATIVE, PRODUCTION AND USE THEREOF AS A MEDICAMENT | Boehringer Ingelheim Pharma GmbH & Co.KG (DE) | 2003-12-10 | — | — | EP | disclosed |
| US-20020198205-A1 | Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2002-12-26 | — | — | US | disclosed |
| WO-2002068420-A1 | XANTHINE DERIVATIVE, PRODUCTION AND USE THEREOF AS A MEDICAMENT | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2002-09-06 | — | — | WO | disclosed |