⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL458882 | 0.90 | — | — | |
| SCHEMBL460168 | 0.77 | SLC6A4 (0.46) | — | |
| SCHEMBL459381 | 0.65 | SLC6A4 (0.41) | — | |
| SCHEMBL462652 | 0.63 | NPC1 (0.31) | — | |
| SCHEMBL25071608 | 0.63 | PIM1 (0.38) | — | |
| SCHEMBL461088 | 0.60 | PLAT (0.31) | — | |
| SCHEMBL456158 | 0.60 | LRRK2 (0.36) | — | |
| SCHEMBL462489 | 0.60 | NPC1 (0.32) | — | |
| SCHEMBL461249 | 0.59 | PIM1 (0.31) | — | |
| SCHEMBL462833 | 0.58 | PLAT (0.34) | — |
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 |