⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28585011 | 1.00 | — | — | |
| SCHEMBL11767515 | 0.71 | CYP1A2 (0.45) | — | |
| SCHEMBL28579476 | 0.71 | ACHE (0.56) | — | |
| Biphenyl SCHEMBL9403462 | 0.69 | ALDH1A1 (0.84) | — | |
| SCHEMBL1899544 | 0.69 | — | — | |
| Nitrobenzene SCHEMBL1330714 | 0.69 | — | — | |
| Nitrobenzene SCHEMBL9669095 | 0.69 | — | — | |
| Nitrobenzene SCHEMBL15525745 | 0.69 | ALDH1A1 (1.00) | — | |
| Nitrobenzene SCHEMBL20411 | 0.69 | — | — | |
| SCHEMBL10824676 | 0.69 | — | — |
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 620 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0408995-B1 | Liquid crystal medium with limited temperature-dependence of the d/p coefficient | MERCK PATENT GMBH (DE) | 1995-11-08 | — | — | EP | claimed |
| EP-0209622-B1 | HYDROTERPHENYLS | MERCK PATENT GmbH (DE) | 1989-06-07 | — | — | EP | claimed |
| EP-4039775-B1 | LIQUID CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2024-06-05 | — | — | EP | disclosed |
| EP-4100489-B1 | LIQUID-CRYSTALLINE COMPOUNDS | MERCK PATENT GMBH (DE) | 2024-01-10 | — | — | EP | disclosed |
| EP-4294890-A1 | LIQUID-CRYSTALLINE COMPOUNDS | Merck Patent GmbH (DE) | 2023-12-27 | — | — | EP | disclosed |
| EP-3712230-B1 | LIQUID CRYSTAL COMPOUNDS | MERCK PATENT GMBH (DE) | 2023-05-17 | — | — | EP | disclosed |
| EP-4100489-A1 | LIQUID-CRYSTALLINE COMPOUNDS | Merck Patent GmbH (DE) | 2022-12-14 | — | — | EP | disclosed |
| CN-108431174-B | Birefringent liquid crystal compositions comprising alkylsulfanyl aryl isothiocyanatodiphenylacetylene compounds | 依视路国际公司 | 2022-08-26 | — | — | CN | disclosed |
| EP-3638657-B1 | DIBENZOFURAN DERIVATIVES AND DIBENZOTHIOPHENE DERIVATIVES | MERCK PATENT GMBH (DE) | 2022-07-20 | — | — | EP | disclosed |
| US-11279878-B2 | Birefringent liquid crystal composition comprising alkylsulfanylaryl isothiocyanato tolane compounds | ESSILOR INTERNATIONAL (FR) | 2022-03-22 | — | — | US | disclosed |
| EP-3489329-B1 | LIQUID CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2022-01-12 | — | — | EP | disclosed |
| EP-0003215-B1 | CYCLOHEXANE DERIVATIVES, LIQUID CRYSTAL DIELECTRICS CONTAINING THEM AND THEIR USE AS CONSTITUENTS OF LIQUID CRYSTAL DIELECTRICS | MERCK PATENT GmbH (DE) | 1981-06-17 | — | — | EP | disclosed |
| EP-0030277-A1 | Partially hydrogenated oligo-1,4-phenylenes, dielectrics containing them and electro-optical indicating device | MERCK PATENT GmbH (DE) | 1981-06-17 | — | — | EP | disclosed |
| EP-0022183-A2 | Derivatives of cyclohexylbiphenyl, process for their preparation, dielectrics containing them, and electron optical indicating elements | MERCK PATENT GmbH (DE) | 1981-01-14 | — | — | EP | disclosed |
| EP-0019060-A1 | Diketones, process for their preparation and their use as components of liquid-crystalline dielectrics | MERCK PATENT GmbH (DE) | 1980-11-26 | — | — | EP | disclosed |
| EP-0014885-A1 | Cyclohexylpyrimidines, their preparation and use, as well as liquid crystals mixtures and electro-optical apparatuses containing these compounds and their preparation | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1980-09-03 | — | — | EP | disclosed |
| EP-0014840-A1 | Fluorphenyl-trans-cyclohexanes, process for their preparation, liquid crystalline dielectrics containing them and electrooptical displaying means | MERCK PATENT GmbH (DE) | 1980-09-03 | — | — | EP | disclosed |
| EP-0012820-A1 | Liquid crystalline carboxylic acid esters, process for their preparation, dielectrics containing them and electro-optical display device | MERCK PATENT GmbH (DE) | 1980-07-09 | — | — | EP | disclosed |
| EP-0003215-A2 | Cyclohexane derivatives, liquid crystal dielectrics containing them and their use as constituents of liquid crystal dielectrics | MERCK PATENT GmbH (DE) | 1979-08-08 | — | — | EP | disclosed |
| US-4158002-A | REACTING AZOBENZENE WITH NITRIC ACID | TEIJIN LIMITED (JP) | 1979-06-12 | — | — | US | disclosed |