⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1155316 | 0.83 | DPP4 (0.36) | — | |
| SCHEMBL4885909 | 0.73 | — | — | |
| SCHEMBL3947021 | 0.73 | — | — | |
| SCHEMBL28823642 | 0.73 | — | — | |
| SCHEMBL1020673 | 0.72 | — | — | |
| SCHEMBL4479796 | 0.71 | — | — | |
| SCHEMBL1150768 | 0.70 | DPP4 (0.35) | — | |
| SCHEMBL3186817 | 0.70 | DPP4 (0.35) | — | |
| SCHEMBL23247420 | 0.69 | DPP4 (0.32) | — | |
| SCHEMBL2878757 | 0.69 | PIK3CD (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7893103-B2 | Dipeptidyl peptidase IV (DPP-IV); industrial scale process of making antidiabetics such as (2S,4S)-1-{2-[(3SR,1RS)-3-(1H-1,2,4-Triazol-1-ylmethyl)cyclopentylamino]acetyl}-4-fluoro-pyrrolidine-2-carbonitrile starting from ethyl glyoxalate and 3-(1H-1,2,4-triazol-1-ylmethyl)cyclopententylamine for example | GLENMARK PHARMACEUTICALS, S.A. (CH) | 2011-02-22 | — | — | US | disclosed |
| US-20080076818-A1 | NOVEL PROCESSES FOR THE PREPARATION OF DPP IV INHIBITORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2008-03-27 | — | — | US | disclosed |