⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1930059 | 0.83 | KDM4E (0.38) | — | |
| SCHEMBL8259969 | 0.79 | RECQL (0.32) | — | |
| SCHEMBL1930249 | 0.74 | KDM4E (0.50) | — | |
| SCHEMBL8261316 | 0.72 | NPY1R (0.39) | — | |
| SCHEMBL1928333 | 0.70 | NPY1R (0.33) | — | |
| SCHEMBL8262451 | 0.70 | NPY1R (0.38) | — | |
| SCHEMBL1929262 | 0.68 | HTT (0.31) | — | |
| SCHEMBL1930252 | 0.66 | DPP4 (0.38) | — | |
| SCHEMBL8261322 | 0.65 | — | — | |
| SCHEMBL1929429 | 0.64 | DPP4 (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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7956061-B2 | Bicyclic pyrimidines as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes | MERCK SHARP & DOHME CORP. (US) | 2011-06-07 | — | — | US | disclosed |
| US-7956061-B2 | Bicyclic pyrimidines as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes | MERCK SHARP & DOHME CORP. (US) | 2011-06-07 | — | — | US | disclosed |
| US-7956061-B2 | Bicyclic pyrimidines as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes | MERCK SHARP & DOHME CORP. (US) | 2011-06-07 | — | — | US | disclosed |
| EP-1841770-B1 | BICYCLIC PYRIMIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | MERCK & CO INC (US) | 2009-11-11 | — | — | EP | disclosed |
| EP-1841770-B1 | BICYCLIC PYRIMIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | MERCK & CO INC (US) | 2009-11-11 | — | — | EP | disclosed |
| US-20090105210-A1 | Bicyclic Pyrimidines as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes | MERCK SHARP & DOHME LLC | 2009-04-23 | — | — | US | disclosed |
| US-20090105210-A1 | Bicyclic Pyrimidines as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes | MERCK SHARP & DOHME LLC | 2009-04-23 | — | — | US | disclosed |
| US-20090105210-A1 | Bicyclic Pyrimidines as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes | MERCK SHARP & DOHME LLC | 2009-04-23 | — | — | US | disclosed |
| WO-2006078676-A2 | BICYCLIC PYRIMIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | MERCK & CO., INC. (US) | 2006-07-27 | — | — | WO | disclosed |