⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11496016 | 0.86 | — | — | |
| SCHEMBL27445984 | 0.77 | SLC18A3 (0.34) | — | |
| SCHEMBL5071884 | 0.74 | — | — | |
| SCHEMBL3816252 | 0.69 | — | — | |
| SCHEMBL1143998 | 0.67 | — | — | |
| SCHEMBL9577912 | 0.67 | CA1 (0.30) | — | |
| SCHEMBL19537 | 0.65 | — | — | |
| SCHEMBL2042312 | 0.65 | GBA1 (0.38) | — | |
| SCHEMBL6354740 | 0.64 | POLB (0.30) | — | |
| SCHEMBL4623622 | 0.64 | — | — |
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-20060293297-A1 | Cyanofluoropyrrolidine derviative | TAISHO PHARMACEUTICAL CO., LTD. (JP) | 2006-12-28 | — | — | US | disclosed |
| CN-1791575-A | Cyanofluoropyrrolidine derivative. | TAISHO PHARMACEUTICAL CO LTD (JP) | 2006-06-21 | — | — | CN | disclosed |
| EP-1627870-A1 | CYANOFLUOROPYRROLIDINE DERIVATIVE | TAISHO PHARMACEUTICAL CO., LTD (JP) | 2006-02-22 | — | — | EP | disclosed |