⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16130696 | 0.89 | — | — | |
| SCHEMBL14961119 | 0.84 | — | — | |
| SCHEMBL14961124 | 0.81 | — | — | |
| SCHEMBL22277602 | 0.81 | GAA (0.31) | — | |
| SCHEMBL14960954 | 0.80 | — | — | |
| SCHEMBL14961009 | 0.80 | — | — | |
| SCHEMBL5819982 | 0.80 | EPHX1 (0.37) | — | |
| SCHEMBL5815956 | 0.80 | EPHX1 (0.37) | — | |
| SCHEMBL14961109 | 0.79 | — | — | |
| SCHEMBL14960955 | 0.79 | EPHX1 (0.30) | — |
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-8846164-B2 | Compound having propyl ether as bonding group, liquid crystal composition thereof and liquid crystal display device thereof | JNC CORPORATION (JP) | 2014-09-30 | — | — | US | disclosed |
| US-20130126783-A1 | COMPOUND HAVING PROPYL ETHER AS BONDING GROUP, LIQUID CRYSTAL COMPOSITION THEREOF AND LIQUID CRYSTAL DISPLAY DEVICE THEREOF | JNC PETROCHEMICAL CORPORATION (JP) | 2013-05-23 | — | — | US | disclosed |