⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11813926 | 0.67 | — | — | |
| SCHEMBL3051609 | 0.67 | — | — | |
| SCHEMBL822279 | 0.67 | — | — | |
| SCHEMBL9207872 | 0.59 | — | — | |
| SCHEMBL453625 | 0.59 | — | — | |
| SCHEMBL79832 | 0.59 | — | — | |
| SCHEMBL132811 | 0.59 | — | — | |
| SCHEMBL5673927 | 0.56 | — | — | |
| SCHEMBL2916110 | 0.56 | — | — | |
| SCHEMBL7558834 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7268150-B2 | 2-cyano-4-fluoropyrrolidine derivative or its salt | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 2007-09-11 | — | — | US | disclosed |
| US-20050176771-A1 | 2-Cyano-4-fluoropyrrolidine derivative or its salt | ASTELLAS PHARMA INC. (JP) | 2005-08-11 | — | — | US | disclosed |
| EP-1541551-A1 | 2-CYANO-4-FLUOROPYRROLIDINE DERIVATIVE OR ITS SALT | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 2005-06-15 | — | — | EP | disclosed |