⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5718947 | 0.95 | — | — | |
| SCHEMBL5719332 | 0.92 | KDM4E (0.31) | — | |
| SCHEMBL5719033 | 0.91 | DPP4 (0.34) | — | |
| SCHEMBL5719117 | 0.90 | — | — | |
| SCHEMBL5718841 | 0.89 | DPP4 (0.33) | — | |
| SCHEMBL5719674 | 0.88 | DPP4 (0.35) | — | |
| SCHEMBL5718809 | 0.87 | DPP4 (0.37) | — | |
| SCHEMBL5719708 | 0.85 | DPP4 (0.34) | — | |
| SCHEMBL5719084 | 0.85 | DPP4 (0.36) | — | |
| SCHEMBL5718875 | 0.85 | DPP4 (0.33) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7074798-B2 | Xanthine derivative and DPPIV inhibitor | EISAI CO., LTD (JP) | 2006-07-11 | — | — | US | disclosed |
| EP-1338595-B1 | Xanthine derivatives as DPP-IV inhibitors | EISAI CO LTD (JP) | 2006-05-03 | — | — | EP | disclosed |
| US-20040082570-A1 | Xanthine derivative and DPPIV inhibitor | EISAI CO., LTD. (JP) | 2004-04-29 | — | — | US | disclosed |
| EP-1338595-A2 | Xanthine derivatives as DPP-IV inhibitors | Eisai Co., Ltd. (JP) | 2003-08-27 | — | — | EP | disclosed |