⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14922611 | 1.00 | — | — | |
| SCHEMBL14922684 | 0.98 | GPR119 (0.31) | — | |
| SCHEMBL14922585 | 0.98 | GPR119 (0.31) | — | |
| SCHEMBL14922627 | 0.96 | GPR119 (0.30) | — | |
| SCHEMBL14922634 | 0.96 | GPR119 (0.30) | — | |
| SCHEMBL14922615 | 0.95 | GPR119 (0.32) | — | |
| SCHEMBL14922624 | 0.95 | GPR119 (0.32) | — | |
| SCHEMBL12197385 | 0.94 | — | — | |
| SCHEMBL12197423 | 0.94 | — | — | |
| SCHEMBL425199 | 0.92 | SCN9A (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 |
|---|---|---|---|---|---|---|---|
| US-8435422-B2 | Five-ring compound, liquid crystal composition and liquid crystal display device | JNC CORPORATION (JP) | 2013-05-07 | — | — | US | disclosed |