⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9120379 | 0.87 | CYP3A4 (0.33) | — | |
| SCHEMBL9120699 | 0.85 | MAPT (0.34) | — | |
| SCHEMBL8588522 | 0.81 | — | — | |
| SCHEMBL22342662 | 0.76 | CA12 (0.45) | — | |
| SCHEMBL103020 | 0.74 | — | — | |
| SCHEMBL95097 | 0.73 | — | — | |
| SCHEMBL1722350 | 0.73 | — | — | |
| SCHEMBL8794021 | 0.73 | CYP3A4 (0.39) | — | |
| SCHEMBL9346346 | 0.73 | — | — | |
| SCHEMBL11639851 | 0.72 | CA12 (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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8853455-B2 | Process for preparing substituted 2-nitrobiphenyls | BASF SE (DE) | 2014-10-07 | — | — | US | disclosed |
| EP-2406210-A1 | PROCESS FOR PREPARING SUBSTITUTED 2-NITROBIPHENYLS | BASF SE (DE) | 2012-01-18 | — | — | EP | disclosed |
| US-20110319665-A1 | Process for Preparing Substituted 2-Nitrobiphenyls | BASF SE (DE) | 2011-12-29 | — | — | US | disclosed |
| WO-2010102980-A1 | PROCESS FOR PREPARING SUBSTITUTED 2-NITROBIPHENYLS | BASF SE (DE) | 2010-09-16 | — | — | WO | disclosed |
| EP-0269963-B1 | Ferroelectric liquid crystals | HOFFMANN LA ROCHE (CH) | 1995-02-22 | — | — | EP | disclosed |
| EP-0344557-B1 | Liquid crystal components with a trimethylenoxy group | HOFFMANN LA ROCHE (CH) | 1994-08-10 | — | — | EP | disclosed |
| US-5238600-A | IBIMETHYLENOXY CONTAINING LIQUID CRYSTAL COMPOUNDS | HOFFMANN-LA ROCHE INC. (US) | 1993-08-24 | — | — | US | disclosed |
| US-5100577-A | FERROELECTRIC LIQUID CRYSTAL MIXTURES AND COMPOUNDS AS WELL AS ELECTRO-OPTICAL DEVICES EMPLOYING SAME | HOFFMAN-LA ROCHE INC. (US) | 1992-03-31 | — | — | US | disclosed |
| EP-0344557-A2 | Liquid crystal components with a trimethylenoxy group | F. HOFFMANN-LA ROCHE AG (CH) | 1989-12-06 | — | — | EP | disclosed |
| EP-0269963-A2 | Ferroelectric liquid crystals | F. HOFFMANN-LA ROCHE AG (CH) | 1988-06-08 | — | — | EP | disclosed |