⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20102545 | 0.91 | RIPK1 (0.32) | — | |
| SCHEMBL20117739 | 0.90 | HPGD (0.36) | — | |
| SCHEMBL20111491 | 0.90 | PTGER1 (0.33) | — | |
| SCHEMBL20102604 | 0.85 | HTR2A (0.31) | — | |
| SCHEMBL20102614 | 0.85 | HTR2A (0.31) | — | |
| SCHEMBL20102546 | 0.84 | PPARG (0.31) | — | |
| SCHEMBL20102457 | 0.83 | CTSL (0.33) | — | |
| SCHEMBL20102611 | 0.82 | ALOX5AP (0.32) | — | |
| SCHEMBL20102571 | 0.81 | HTR2A (0.32) | — | |
| SCHEMBL20102396 | 0.81 | HTR2A (0.32) | — |
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-20180119009-A1 | LIQUID CRYSTAL COMPOUND HAVING BIPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC CORPORATION (JP) | 2018-05-03 | — | — | US | disclosed |