⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10302946 | 0.92 | PDE5A (0.31) | — | |
| SCHEMBL12823281 | 0.90 | — | — | |
| SCHEMBL12823261 | 0.87 | NTSR1 (0.31) | — | |
| SCHEMBL12823081 | 0.87 | NTSR1 (0.31) | — | |
| SCHEMBL12906976 | 0.86 | KDM1A (0.32) | — | |
| SCHEMBL12821183 | 0.86 | — | — | |
| SCHEMBL13654123 | 0.86 | — | — | |
| SCHEMBL12907908 | 0.85 | SLC6A2 (0.35) | — | |
| SCHEMBL10302935 | 0.85 | TUBB1 (0.34) | — | |
| SCHEMBL12716741 | 0.84 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110037024-A1 | THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE | CHISSO CORPORATION (JP) | 2011-02-17 | — | — | US | disclosed |
| WO-2009125668-A1 | TRICYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | チッソ株式会社 (JP) | 2009-10-15 | — | — | WO | disclosed |