⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14730207 | 0.83 | NTRK1 (0.34) | — | |
| SCHEMBL14730332 | 0.81 | — | — | |
| SCHEMBL14730276 | 0.77 | — | — | |
| SCHEMBL14730255 | 0.77 | PDK2 (0.34) | — | |
| SCHEMBL14730263 | 0.75 | GPR119 (0.35) | — | |
| SCHEMBL14730312 | 0.74 | GPR119 (0.36) | — | |
| SCHEMBL14730293 | 0.72 | DPP4 (0.32) | — | |
| SCHEMBL14730216 | 0.72 | GPR119 (0.33) | — | |
| SCHEMBL14730289 | 0.71 | MCHR1 (0.34) | — | |
| SCHEMBL14730166 | 0.71 | RET (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-2013026587-A1 | 1,4 DISUBSTITUTED PYRROLIDINE - 3 - YL -AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS | PROSIDION LIMITED (GB) | 2013-02-28 | — | — | WO | disclosed |