⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL554750 | 1.00 | — | — | |
| SCHEMBL18184542 | 0.86 | — | — | |
| SCHEMBL10669569 | 0.84 | — | — | |
| SCHEMBL27889033 | 0.84 | — | — | |
| SCHEMBL3344559 | 0.83 | DPP4 (0.38) | — | |
| SCHEMBL28690253 | 0.78 | — | — | |
| SCHEMBL1473029 | 0.72 | DPP4 (0.36) | — | |
| SCHEMBL11386773 | 0.72 | — | — | |
| SCHEMBL8253254 | 0.69 | DPP4 (0.56) | — | |
| SCHEMBL8250544 | 0.69 | DPP4 (0.56) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022003405-A1 | ONE-POT PROCESS TO OBTAIN A PYRROLIDINE-2-CARBONITRILE INTERMEDIATE COMPOUND AND INDUSTRIAL SCALE TELESCOPIC PROCESS TO PREPARE (2S)-1-[N-(3-HYDROXYADAMANTAN-1-YL)GLYCYL]-2-PYRROLIDINECARBONITRILE (VILDAGLIPTIN) USING SAME | SAVOI GUILHERME (AR) | 2022-01-06 | — | — | WO | disclosed |
| EP-3507274-B1 | METHOD FOR PRODUCING CHIRAL AMINONITRILES | UNIV BIELEFELD (DE) | 2020-08-12 | — | — | EP | disclosed |
| US-7553861-B2 | Dipeptidyl peptidase-IV inhibitors | ALANTOS PHARMACEUTICALS HOLDING, INC. (US) | 2009-06-30 | — | — | US | disclosed |
| US-7205409-B2 | Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) | ABBOTT LABORATORIES (US) | 2007-04-17 | — | — | US | disclosed |
| US-20050131019-A1 | Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) | ABBVIE INC. | 2005-06-16 | — | — | US | disclosed |