⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8069952 | 1.00 | — | — | |
| SCHEMBL18184542 | 0.86 | — | — | |
| SCHEMBL10669569 | 0.84 | — | — | |
| SCHEMBL27889033 | 0.84 | — | — | |
| SCHEMBL3344559 | 0.83 | DPP4 (0.38) | — | |
| SCHEMBL28690253 | 0.78 | — | — | |
| SCHEMBL1473029 | 0.72 | DPP4 (0.36) | — | |
| SCHEMBL11386773 | 0.72 | — | — | |
| SCHEMBL8253254 | 0.69 | DPP4 (0.56) | — | |
| SCHEMBL8250544 | 0.69 | DPP4 (0.56) | — |
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 66 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2298769-B1 | Xanthin derivatives, their production and utilisation as medicine | BOEHRINGER INGELHEIM PHARMA (DE) | 2013-10-30 | — | — | EP | claimed |
| 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 | claimed |
| EP-1953162-B9 | Xanthin derivatives, their production and utilisation as medicine | BOEHRINGER INGELHEIM PHARMA (DE) | 2012-10-31 | — | — | EP | claimed |
| 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 | claimed |
| EP-1953162-B1 | Xanthin derivatives, their production and utilisation as medicine | BOEHRINGER INGELHEIM PHARMA (DE) | 2012-06-20 | — | — | EP | claimed |
| 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 | claimed |
| US-20110144083-A1 | Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-06-16 | — | — | US | claimed |
| US-7838529-B2 | Xanthine derivates, their preparation and their use in pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-11-23 | — | — | US | claimed |
| US-20100173916-A1 | Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-07-08 | — | — | US | claimed |
| US-20100144703-A1 | XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2010-06-10 | — | — | US | claimed |
| US-20060205711-A1 | Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2006-09-14 | — | — | US | claimed |
| EP-1554278-B1 | XANTHINE DERIVATIVES, PRODUCTION THEREOF AND USE THEREOF AS MEDICINES | BOEHRINGER INGELHEIM PHARMA (DE) | 2006-04-12 | — | — | EP | claimed |
| US-20050026921-A1 | New imidazopyridazinone and imidazopyridone derivatives, the preparation thereof and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-02-03 | — | — | US | claimed |
| US-20040166125-A1 | Xanthine derivatives, their preparation and their use in pharmaceutical compositions | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2004-08-26 | — | — | US | claimed |
| US-20040138215-A1 | Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2004-07-15 | — | — | US | claimed |
| 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 | claimed |
| US-20040122228-A1 | New purine derivatives, the preparation thereof and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2004-06-24 | — | — | US | claimed |
| 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 | claimed |
| 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 | claimed |
| US-20020198205-A1 | Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2002-12-26 | — | — | US | claimed |