⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6822810 | 1.00 | — | — | |
| SCHEMBL282564 | 0.81 | OPRL1 (0.32) | — | |
| SCHEMBL1139842 | 0.78 | FFAR3 (0.35) | — | |
| SCHEMBL27225166 | 0.75 | — | — | |
| SCHEMBL2166022 | 0.70 | KDM4E (0.32) | — | |
| SCHEMBL282341 | 0.69 | — | — | |
| SCHEMBL25408629 | 0.66 | — | — | |
| SCHEMBL6825970 | 0.66 | — | — | |
| SCHEMBL3499116 | 0.66 | — | — | |
| SCHEMBL19791107 | 0.64 | CARM1 (0.31) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004099185-A1 | 2-CYANOPYRROLIDINE DERIVATIVES AND THEIR USE AS DPP-IV INHIBITORS | FUJISAWA PHARMACEUTICAL CO. LTD. (JP) | 2004-11-18 | — | — | WO | disclosed |