⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8972143 | 1.00 | — | — | |
| SCHEMBL14311020 | 0.85 | — | — | |
| SCHEMBL17732980 | 0.81 | — | — | |
| SCHEMBL13760057 | 0.81 | — | — | |
| SCHEMBL5868424 | 0.81 | ALOX5 (0.31) | — | |
| SCHEMBL18756333 | 0.79 | MAPT (0.32) | — | |
| SCHEMBL8014585 | 0.77 | ALDH1A1 (0.43) | — | |
| SCHEMBL19991272 | 0.77 | ALDH1A1 (0.43) | — | |
| SCHEMBL14730442 | 0.75 | — | — | |
| Ethylene Glycol SCHEMBL6673939 | 0.73 | AKR1B1 (0.39) | — |
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-2206695-A1 | TETRA- OR PENTA-CYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT | Chisso Corporation (JP) | 2010-07-14 | — | — | EP | disclosed |
| EP-0433836-B1 | Halophenyl substituted dioxanes | HOFFMANN LA ROCHE (CH) | 1996-03-27 | — | — | EP | disclosed |
| US-5322638-A | Halophenyl substituted dioxanes | HOFFMANN-LA ROCHE INC. (US) | 1994-06-21 | — | — | US | disclosed |
| US-5238602-A | Electrooptical cells | HOFFMANN LA ROCHE INC. (US) | 1993-08-24 | — | — | US | disclosed |
| EP-0433836-A2 | Halophenyl substituted dioxanes | F. HOFFMANN-LA ROCHE AG (CH) | 1991-06-26 | — | — | EP | disclosed |
| EP-0168683-B1 | LIQUID CRYSTALS WITH ALKENYL OR ALKENYLOXY GROUPS | F. HOFFMANN-LA ROCHE AG (CH) | 1990-11-28 | — | — | EP | disclosed |