⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12823060 | 0.92 | HTR2C (0.31) | — | |
| SCHEMBL12823647 | 0.92 | S1PR1 (0.32) | — | |
| SCHEMBL12823576 | 0.91 | GABRA1 (0.30) | — | |
| SCHEMBL13586154 | 0.89 | NAAA (0.36) | — | |
| SCHEMBL12822963 | 0.88 | S1PR1 (0.33) | — | |
| SCHEMBL12738726 | 0.88 | GABRA1 (0.31) | — | |
| SCHEMBL12822346 | 0.88 | S1PR1 (0.33) | — | |
| SCHEMBL14766309 | 0.86 | GABRA1 (0.35) | — | |
| SCHEMBL12822747 | 0.85 | — | — | |
| SCHEMBL12738730 | 0.84 | GABRA1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110090450-A1 | FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC CORPORATION (JP) | 2011-04-21 | — | — | US | disclosed |
| WO-2009150966-A1 | TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT | チッソ株式会社 (JP) | 2009-12-17 | — | — | WO | disclosed |