⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3992204 | 0.81 | — | — | |
| Chloroacetic Acid SCHEMBL11505971 | 0.74 | TSHR (0.56) | — | |
| Water SCHEMBL20546842 | 0.73 | — | — | |
| SCHEMBL9465929 | 0.73 | — | — | |
| SCHEMBL3849153 | 0.73 | — | — | |
| SCHEMBL12607327 | 0.73 | — | — | |
| SCHEMBL609943 | 0.71 | — | — | |
| SCHEMBL10366903 | 0.71 | — | — | |
| SCHEMBL14437941 | 0.71 | — | — | |
| SCHEMBL28054426 | 0.71 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110118305-A1 | COMPOUNDS | SANOFI-AVENTIS (FR) | 2011-05-19 | — | — | US | disclosed |
| US-7781455-B2 | Compounds | SANOFI-AVENTIS (FR) | 2010-08-24 | — | — | US | disclosed |
| US-20100160328-A1 | NEW COMPOUNDS USEFUL FOR DPP-IV ENZYME INHIBITION | SANOFI-AVENTIS (FR) | 2010-06-24 | — | — | US | disclosed |
| US-7652021-B2 | (2S)-4,4-difluoro-1-{N-[3-(pyrimidin-2-ylamino)-1-adamantyl]glycyl}pyrrolidine-2-carbonitrile; dipeptidyl peptidase IV enzyme inhibitors; non-insulin dependent diabetes mellitus | SANOFI-AVENTIS (FR) | 2010-01-26 | — | — | US | disclosed |
| US-7087614-B2 | Pyrimidine inhibitors of phosphodiesterase (PDE) 7 | BRISTOL-MYERS SQUIBB CO. (US) | 2006-08-08 | — | — | US | disclosed |
| EP-1397142-A4 | PYRIMIDINE INHIBITORS OF PHOSPHODIESTERASE (PDE) 7 | BRISTOL MYERS SQUIBB CO (US) | 2004-11-03 | — | — | EP | disclosed |
| EP-1397142-A2 | PYRIMIDINE INHIBITORS OF PHOSPHODIESTERASE (PDE) 7 | Bristol-Myers Squibb Company (US) | 2004-03-17 | — | — | EP | disclosed |
| US-20030162802-A1 | Pyrimidine inhibitors of phosphodiesterase (PDE) 7 | BRISTOL-MYERS SQUIBB COMPANY | 2003-08-28 | — | — | US | disclosed |
| WO-2002102313-A2 | PYRIMIDINE INHIBITORS OF PHOSPHODIESTERASE (PDE) 7 | BRISTOL-MYERS SQUIBB COMPANY (US) | 2002-12-27 | — | — | WO | disclosed |