⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14960790 | 0.86 | PTGFR (0.31) | — | |
| SCHEMBL12759251 | 0.85 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL14961006 | 0.85 | — | — | |
| SCHEMBL14960940 | 0.83 | — | — | |
| SCHEMBL12759236 | 0.82 | ALDH1A1 (0.32) | — | |
| SCHEMBL12759249 | 0.82 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL14960998 | 0.82 | KDM1A (0.32) | — | |
| SCHEMBL14960954 | 0.81 | — | — | |
| SCHEMBL12759132 | 0.81 | EPHX1 (0.34) | — | |
| SCHEMBL14960892 | 0.81 | PPARG (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 |