⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27220787 | 0.83 | — | — | |
| SCHEMBL993721 | 0.80 | NAMPT (0.31) | — | |
| SCHEMBL442601 | 0.79 | — | — | |
| SCHEMBL1357465 | 0.78 | — | — | |
| SCHEMBL19551026 | 0.78 | — | — | |
| SCHEMBL23499465 | 0.78 | — | — | |
| SCHEMBL956026 | 0.76 | — | — | |
| SCHEMBL10907748 | 0.76 | — | — | |
| SCHEMBL10352008 | 0.76 | — | — | |
| SCHEMBL4640334 | 0.76 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7838529-B2 | Xanthine derivates, their preparation and their use in pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-11-23 | — | — | US | claimed |
| US-20090131432-A1 | XANTHINE DERIVATES, THEIR PREPARATION AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2009-05-21 | — | — | US | claimed |
| EP-1554278-B1 | XANTHINE DERIVATIVES, PRODUCTION THEREOF AND USE THEREOF AS MEDICINES | BOEHRINGER INGELHEIM PHARMA (DE) | 2006-04-12 | — | — | EP | claimed |
| EP-1554278-A2 | XANTHINE DERIVATIVES, PRODUCTION THEREOF AND USE THEREOF AS MEDICINES | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2005-07-20 | — | — | EP | 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 |
| WO-2004018467-A2 | PHENACYL XANTHINE DERIVATIVES AS DPP-IV INHIBITOR | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2004-03-04 | — | — | WO | claimed |
| US-7838529-B2 | Xanthine derivates, their preparation and their use in pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-11-23 | — | — | US | disclosed |
| US-20090131432-A1 | XANTHINE DERIVATES, THEIR PREPARATION AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2009-05-21 | — | — | US | disclosed |
| US-7495005-B2 | Xanthine derivatives, their preparation and their use in pharmaceutical compositions | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2009-02-24 | — | — | US | disclosed |
| EP-1554278-B1 | XANTHINE DERIVATIVES, PRODUCTION THEREOF AND USE THEREOF AS MEDICINES | BOEHRINGER INGELHEIM PHARMA (DE) | 2006-04-12 | — | — | EP | disclosed |
| EP-1554278-A2 | XANTHINE DERIVATIVES, PRODUCTION THEREOF AND USE THEREOF AS MEDICINES | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2005-07-20 | — | — | EP | disclosed |
| US-20040166125-A1 | Xanthine derivatives, their preparation and their use in pharmaceutical compositions | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2004-08-26 | — | — | US | disclosed |
| WO-2004018467-A2 | PHENACYL XANTHINE DERIVATIVES AS DPP-IV INHIBITOR | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2004-03-04 | — | — | WO | disclosed |