⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3844720 | 0.94 | — | — | |
| SCHEMBL16053423 | 0.75 | — | — | |
| SCHEMBL4810806 | 0.73 | — | — | |
| SCHEMBL19947945 | 0.72 | DPP4 (0.32) | — | |
| SCHEMBL9734007 | 0.72 | — | — | |
| SCHEMBL4256166 | 0.72 | DPP4 (0.32) | — | |
| SCHEMBL9734009 | 0.72 | — | — | |
| SCHEMBL15392534 | 0.72 | — | — | |
| SCHEMBL19947946 | 0.72 | DPP4 (0.32) | — | |
| SCHEMBL30067948 | 0.71 | DPP4 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009026197-A1 | NOVEL CATHEPSIN C INHIBITORS AND THEIR USE | GLAXO GROUP LIMITED (GB) | 2009-02-26 | — | — | WO | disclosed |
| EP-0408879-A2 | 1-Substituted-2-(3-amino-1-propynyl)-pyrrolidine derivatives | AMERICAN CYANAMID COMPANY (US) | 1991-01-23 | — | — | EP | disclosed |