⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20117661 | 0.88 | — | — | |
| SCHEMBL20102616 | 0.88 | TDP2 (0.31) | — | |
| SCHEMBL20117595 | 0.80 | AKR1C3 (0.41) | — | |
| SCHEMBL18069659 | 0.80 | POLB (0.38) | — | |
| SCHEMBL12023277 | 0.80 | POLB (0.38) | — | |
| SCHEMBL20111585 | 0.77 | CTSL (0.36) | — | |
| SCHEMBL20111320 | 0.73 | PTGS1 (0.35) | — | |
| SCHEMBL20117904 | 0.73 | PTGS2 (0.37) | — | |
| SCHEMBL20111545 | 0.72 | ESR2 (0.30) | — | |
| SCHEMBL18573626 | 0.72 | HDAC3 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3315583-A1 | LIQUID CRYSTAL COMPOUND HAVING BIPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC Corporation (JP) | 2018-05-02 | — | — | EP | disclosed |