⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7782283 | 1.00 | — | — | |
| SCHEMBL16409472 | 0.89 | — | — | |
| SCHEMBL7535378 | 0.89 | — | — | |
| SCHEMBL7535381 | 0.89 | — | — | |
| SCHEMBL28216572 | 0.79 | — | — | |
| SCHEMBL3030896 | 0.78 | SPHK2 (0.38) | — | |
| SCHEMBL3030901 | 0.78 | SPHK2 (0.38) | — | |
| SCHEMBL9245489 | 0.78 | LMNA (0.48) | — | |
| SCHEMBL9245475 | 0.78 | LMNA (0.48) | — | |
| SCHEMBL9404076 | 0.77 | TSHR (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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0732330-B1 | Di-1,3-dioxane derivatives useful as liquid crystals | ROLIC AG (CH) | 2001-09-12 | — | — | EP | disclosed |
| US-5667721-A | Liquid crystalline di-1,3-dioxane derivatives | ROLIC AG (CH) | 1997-09-16 | — | — | US | disclosed |
| EP-0732330-A1 | Di-1,3-dioxane derivatives useful as liquid crystals | F. HOFFMANN-LA ROCHE AG (CH) | 1996-09-18 | — | — | EP | disclosed |
| US-5238602-A | Electrooptical cells | HOFFMANN LA ROCHE INC. (US) | 1993-08-24 | — | — | US | disclosed |
| EP-0168683-B1 | LIQUID CRYSTALS WITH ALKENYL OR ALKENYLOXY GROUPS | F. HOFFMANN-LA ROCHE AG (CH) | 1990-11-28 | — | — | EP | disclosed |
| US-4292151-A | MELT SPINNING THE BLOCK POLYMER WITH AN UNSATURATED COMPOUND; CURING WITH ACTINIC RADIATION | TEIJIN LIMITED (JP) | 1981-09-29 | — | — | US | disclosed |