⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL399989 | 1.00 | — | — | |
| SCHEMBL6594618 | 0.74 | ALDH1A1 (0.50) | — | |
| Hydrogen Sulfide SCHEMBL873027 | 0.33 | — | — | |
| Xenon Xe 127 SCHEMBL29435140 | 0.33 | — | — | |
| SCHEMBL15482 | 0.33 | — | — | |
| SCHEMBL29449400 | 0.33 | — | — | |
| SCHEMBL29360521 | 0.33 | — | — | |
| SCHEMBL1394588 | 0.33 | — | — | |
| SCHEMBL10697375 | 0.33 | — | — | |
| SCHEMBL1658214 | 0.24 | — | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1273562-B1 | Naphthalene derivative and liquid crystal composition comprising the same | DAINIPPON INK & CHEMICALS (JP) | 2009-07-22 | — | — | EP | claimed |
| EP-1358234-B1 | PHOTOACTIVE COPOLYMER | ROLIC AG (CH) | 2006-06-28 | — | — | EP | claimed |
| EP-1201632-B1 | FUSED RING COMPOUND | DAINIPPON INK & CHEMICALS (JP) | 2006-03-29 | — | — | EP | claimed |
| EP-1191008-B1 | COMPOUND HAVING TETRAHYDRONAPHTHALENE SKELETON AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME | DAINIPPON INK & CHEMICALS (JP) | 2005-02-09 | — | — | EP | claimed |
| EP-0952135-B1 | Naphthalene derivative and liquid crystal composition comprising the same | DAINIPPON INK & CHEMICALS (JP) | 2005-01-05 | — | — | EP | claimed |
| EP-0541081-B1 | Compounds with only a side chain for use in liquid crystal mixtures | AVENTIS RES & TECH GMBH & CO (DE) | 2002-04-10 | — | — | EP | claimed |
| EP-0679619-B1 | Process for cross-coupling of aromatic boron compounds with aromatic halogen compounds or perfluoroalkyl sulphonates | AVENTIS RES & TECH GMBH & CO (DE) | 2001-10-17 | — | — | EP | claimed |
| EP-0552658-B1 | 3-Cyclohexyl propionic acid derivatives and their use in ferroelectric liquid crystal mixtures | AVENTIS RES & TECH GMBH & CO (DE) | 2001-05-23 | — | — | EP | claimed |
| EP-0694530-B1 | Process for cross-coupling of aromatic boron compounds with aromatic halogen compounds or perfluoroalkyl sulphonates | AVENTIS RES & TECH GMBH & CO (DE) | 2000-08-23 | — | — | EP | claimed |
| EP-0578054-B1 | Meta-substituted six membered aromatic rings for use in liquid crystal mixtures | HOECHST AG (DE) | 1999-05-19 | — | — | EP | claimed |
| EP-0534258-B1 | Chiral oxazolines as dopants for liquid crystals mixtures | HOFFMANN LA ROCHE (CH) | 1997-05-21 | — | — | EP | claimed |
| EP-0665825-B1 | METHOD OF CROSSLINKING AROMATIC BORON ACIDS WITH AROMATIC HALOGEN COMPOUNDS OR PERFLUOROALKYL SULPHONATES | HOECHST AG (DE) | 1997-01-15 | — | — | EP | claimed |
| EP-0410233-B1 | (4-Arylbutyl) cyclohexane derivatives | HOFFMANN LA ROCHE (CH) | 1995-11-15 | — | — | EP | claimed |
| EP-0442306-B1 | (4E-cyclohexyl-3-butenyl)phenyl derivatives | HOFFMANN LA ROCHE (CH) | 1995-04-12 | — | — | EP | claimed |
| EP-0393501-B1 | LIQUID CRYSTAL COMPONENTS WITH A TRANS-3-CYCLOHEXYLALLYLOXY GROUP | F. HOFFMANN-LA ROCHE AG (CH) | 1993-06-23 | — | — | EP | claimed |
| EP-0256097-B1 | VINYL COMPOUNDS AND LIQUID CRYSTAL PHASE | MERCK PATENT GmbH (DE) | 1990-08-01 | — | — | EP | claimed |