⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3134746 | 0.80 | CDC7 (0.38) | — | |
| SCHEMBL3133050 | 0.69 | ADRB1 (0.35) | — | |
| SCHEMBL3122304 | 0.64 | P2RX7 (0.33) | — | |
| SCHEMBL3233681 | 0.56 | DPP4 (0.32) | — | |
| SCHEMBL18467791 | 0.56 | PTGS1 (0.31) | — | |
| SCHEMBL3131535 | 0.55 | DPP4 (0.51) | — | |
| SCHEMBL798855 | 0.52 | — | — | |
| SCHEMBL12172388 | 0.49 | — | — | |
| SCHEMBL175478 | 0.49 | ALDH1A1 (0.33) | — | |
| SCHEMBL9972335 | 0.48 | HTT (0.32) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1784188-B1 | FUSED TRIAZOLE DERIVATIVES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | MERCK SHARP & DOHME (US) | 2010-07-14 | — | — | EP | disclosed |
| EP-1784188-B1 | FUSED TRIAZOLE DERIVATIVES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | MERCK SHARP & DOHME (US) | 2010-07-14 | — | — | EP | disclosed |
| US-7625888-B2 | Fused triazole derivatives as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes | MERCK & CO., INC. (US) | 2009-12-01 | — | — | US | disclosed |
| US-7625888-B2 | Fused triazole derivatives as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes | MERCK & CO., INC. (US) | 2009-12-01 | — | — | US | disclosed |
| US-20070208010-A1 | Fused Triazole Derivatives as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes | MERCK SHARP & DOHME CORP. | 2007-09-06 | — | — | US | disclosed |
| US-20070208010-A1 | Fused Triazole Derivatives as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes | MERCK SHARP & DOHME CORP. | 2007-09-06 | — | — | US | disclosed |
| US-20070208010-A1 | Fused Triazole Derivatives as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes | MERCK SHARP & DOHME CORP. | 2007-09-06 | — | — | US | disclosed |