⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14786780 | 0.76 | — | — | |
| SCHEMBL22616392 | 0.59 | — | — | |
| SCHEMBL22616393 | 0.59 | — | — | |
| SCHEMBL19951605 | 0.59 | — | — | |
| SCHEMBL14645364 | 0.58 | — | — | |
| SCHEMBL24453092 | 0.57 | — | — | |
| SCHEMBL14383527 | 0.57 | — | — | |
| SCHEMBL563796 | 0.57 | — | — | |
| SCHEMBL628776 | 0.57 | — | — | |
| SCHEMBL1578217 | 0.56 | — | — |
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 6 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 |
| 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 |
| EP-1841770-A4 | BICYCLIC PYRIMIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | MERCK & CO INC (US) | 2009-03-04 | — | — | EP | disclosed |
| EP-1841770-A2 | BICYCLIC PYRIMIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | Merck & Co., Inc. (US) | 2007-10-10 | — | — | EP | 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 |