⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20102586 | 0.90 | GRM2 (0.31) | — | |
| SCHEMBL20102517 | 0.88 | GRM2 (0.32) | — | |
| SCHEMBL20102524 | 0.88 | EPHX1 (0.32) | — | |
| SCHEMBL12759181 | 0.84 | HTR2A (0.31) | — | |
| SCHEMBL20102583 | 0.84 | OPRL1 (0.32) | — | |
| SCHEMBL12759206 | 0.83 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL22277315 | 0.83 | ADRB2 (0.31) | — | |
| SCHEMBL12759194 | 0.83 | HTR2C (0.31) | — | |
| SCHEMBL12759167 | 0.83 | SGPL1 (0.33) | — | |
| SCHEMBL20102543 | 0.82 | — | — |
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 |