⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL470617 | 0.84 | ACACB (0.30) | — | |
| SCHEMBL470805 | 0.80 | DPP4 (0.32) | — | |
| SCHEMBL470518 | 0.74 | ACACB (0.30) | — | |
| SCHEMBL12064721 | 0.73 | GPR119 (0.33) | — | |
| SCHEMBL459780 | 0.70 | ACACB (0.32) | — | |
| SCHEMBL14730253 | 0.70 | GPR119 (0.33) | — | |
| SCHEMBL14730254 | 0.69 | GPR119 (0.34) | — | |
| SCHEMBL14730169 | 0.69 | GPR119 (0.33) | — | |
| SCHEMBL12064617 | 0.68 | DPP4 (0.31) | — | |
| SCHEMBL12064854 | 0.68 | DPP4 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011147951-A1 | CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS | PROSIDION LIMITED (GB) | 2011-12-01 | — | — | WO | disclosed |