⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL182572 | 0.84 | — | — | |
| SCHEMBL596930 | 0.76 | BRD4 (0.39) | — | |
| SCHEMBL5982960 | 0.72 | KMT2A (0.35) | — | |
| SCHEMBL5981991 | 0.70 | ALDH1A1 (0.34) | — | |
| SCHEMBL5981904 | 0.70 | — | — | |
| SCHEMBL5983122 | 0.69 | MEN1 (0.37) | — | |
| SCHEMBL9782147 | 0.69 | — | — | |
| SCHEMBL596012 | 0.68 | — | — | |
| SCHEMBL5983248 | 0.68 | GBA1 (0.41) | — | |
| SCHEMBL4407956 | 0.67 | BRD4 (0.38) | — |
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 64 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 |
| EP-1492536-B1 | 4-(N-PHENYLAMINO)-QUINAZOLINES / QUINOLINES AS TYROSINE KINASE INHIBITORS | BOEHRINGER INGELHEIM PHARMA (DE) | 2012-05-09 | — | — | 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-20110136806-A1 | Bicyclic heterocycles, pharmaceutical compositions containing these compounds, the use thereof and processes for the preparation thereof | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-06-09 | — | — | US | claimed |
| US-20100234371-A1 | Bicyclic heterocycles, pharmaceutical compositions containing these compounds, the use thereof and processes for the preparation thereof | HIMMELSBACH FRANK | 2010-09-16 | — | — | US | claimed |
| EP-1757606-B1 | Xanthinderivatives for use as medical agents and the preparation thereof | BOEHRINGER INGELHEIM PHARMA (DE) | 2009-05-06 | — | — | EP | claimed |
| US-7456189-B2 | Bicyclic heterocycles, medicaments containing these compounds, their use and processes for their preparation | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2008-11-25 | — | — | US | claimed |
| EP-1368349-B1 | XANTHINE DERIVATIVE, PRODUCTION AND USE THEREOF AS A MEDICAMENT | BOEHRINGER INGELHEIM PHARMA (DE) | 2007-02-14 | — | — | EP | claimed |
| US-7119084-B2 | Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2006-10-10 | — | — | 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 |
| US-20050182043-A1 | Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2005-08-18 | — | — | US | claimed |
| US-6924285-B2 | Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them | BOEHRINGER INGELHEIM PHARMA GMBH & CO. (DE) | 2005-08-02 | — | — | US | claimed |
| US-20050070560-A1 | Bicyclic heterocycles, medicaments containing these compounds, their use and processes for their preparation | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-03-31 | — | — | 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-20040048880-A1 | Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2004-03-11 | — | — | US | claimed |