⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21737582 | 0.81 | — | — | |
| SCHEMBL2986172 | 0.79 | — | — | |
| SCHEMBL2994302 | 0.74 | CYP2A6 (0.34) | — | |
| SCHEMBL2655191 | 0.73 | PTGDR2 (0.40) | — | |
| SCHEMBL8140686 | 0.69 | — | — | |
| SCHEMBL24525799 | 0.67 | ADRA2A (0.42) | — | |
| SCHEMBL20844177 | 0.65 | — | — | |
| SCHEMBL21369364 | 0.65 | — | — | |
| SCHEMBL24525789 | 0.65 | GAA (0.35) | — | |
| SCHEMBL1769149 | 0.63 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7776897-B2 | such as 3-[1-(5-chloro-2-thienyl)cyclopenty]-5,6,7,8,9,10-hexahydro [1,2,4]triazolo[4,3-a]azocine, having a strong 11 beta -hydroxysteroid dehydrogenase type 1inhibitory activity and exhibiting an excellent blood-glucose level-lowering action, used for the therapy of diabetes and insulin resistance | ASTELLAS PHARMA INC. (JP) | 2010-08-17 | — | — | US | disclosed |
| US-20070259854-A1 | Triazole Derivative or Salt Thereof | ASTELLAS PHARMA INC. (JP) | 2007-11-08 | — | — | US | disclosed |
| EP-1790641-A1 | TRIAZOLE DERIVATIVE OR SALT THEREOF | Astellas Pharma Inc. (JP) | 2007-05-30 | — | — | EP | disclosed |