⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL463286 | 0.85 | — | — | |
| SCHEMBL458923 | 0.84 | — | — | |
| SCHEMBL457491 | 0.80 | ITGB3 (0.34) | — | |
| SCHEMBL459944 | 0.75 | NTRK1 (0.34) | — | |
| SCHEMBL457723 | 0.75 | NTRK1 (0.34) | — | |
| SCHEMBL460033 | 0.74 | RET (0.33) | — | |
| SCHEMBL459071 | 0.73 | NTRK1 (0.33) | — | |
| SCHEMBL458010 | 0.72 | ITGB3 (0.34) | — | |
| SCHEMBL463438 | 0.71 | HTR2A (0.35) | — | |
| SCHEMBL458389 | 0.66 | — | — |
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 |