⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12872824 | 0.86 | DPP4 (0.41) | — | |
| SCHEMBL12872827 | 0.79 | EGLN3 (0.39) | — | |
| SCHEMBL14648429 | 0.78 | DPP4 (0.44) | — | |
| SCHEMBL12861022 | 0.76 | CNR2 (0.34) | — | |
| SCHEMBL12861023 | 0.75 | DPP4 (0.39) | — | |
| SCHEMBL12861058 | 0.75 | DPP4 (0.39) | — | |
| SCHEMBL14281867 | 0.74 | — | — | |
| SCHEMBL1154985 | 0.72 | CNR2 (0.33) | — | |
| SCHEMBL1154733 | 0.72 | DPP4 (0.39) | — | |
| SCHEMBL1155232 | 0.72 | DPP4 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |