⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1392157 | 0.81 | — | — | |
| SCHEMBL1393197 | 0.79 | — | — | |
| SCHEMBL1392939 | 0.76 | — | — | |
| SCHEMBL1392506 | 0.72 | — | — | |
| SCHEMBL20694950 | 0.72 | CYP2A6 (0.37) | — | |
| SCHEMBL1392397 | 0.70 | — | — | |
| SCHEMBL1393361 | 0.68 | — | — | |
| SCHEMBL7433384 | 0.67 | CYP2A6 (0.39) | — | |
| SCHEMBL1393230 | 0.67 | — | — | |
| SCHEMBL1392624 | 0.67 | — | — |
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-8480926-B2 | Liquid-crystalline compound and organic semiconductor device containing the compound | JNC CORPORATION (JP) | 2013-07-09 | — | — | US | disclosed |
| US-20120007062-A1 | NOVEL LIQUID-CRYSTALLINE COMPOUND AND ORGANIC SEMICONDUCTOR DEVICE CONTAINING THE COMPOUND | JNC CORPORATION (JP) | 2012-01-12 | — | — | US | disclosed |