⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1865631 | 0.91 | — | — | |
| SCHEMBL16529231 | 0.61 | — | — | |
| Fluoride SCHEMBL27757511 | 0.61 | — | — | |
| SCHEMBL975834 | 0.61 | — | — | |
| SCHEMBL10380539 | 0.61 | TSHR (1.00) | — | |
| SCHEMBL27771 | 0.61 | — | — | |
| SCHEMBL8853906 | 0.61 | TSHR (1.00) | — | |
| Cyclohexane SCHEMBL23500985 | 0.57 | TSHR (0.86) | — | |
| Ammonia Solution, Strong SCHEMBL8365336 | 0.57 | — | — | |
| SCHEMBL19466425 | 0.57 | — | — |
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 109 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3495343-A1 | POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC Corporation (JP) | 2019-06-12 | — | — | EP | claimed |
| US-20190169502-A1 | POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC CORPORATION (JP) | 2019-06-06 | — | — | US | claimed |
| US-8741397-B2 | Liquid crystal display element, liquid crystal composition, aligning agent, method for producing liquid crystal display element, and use of liquid crystal composition | JNC CORPORATION (JP) | 2014-06-03 | — | — | US | claimed |
| US-20120229744-A1 | LIQUID CRYSTAL DISPLAY ELEMENT, LIQUID CRYSTAL COMPOSITION, ALIGNING AGENT, METHOD FOR PRODUCING LIQUID CRYSTAL DISPLAY ELEMENT, AND USE OF LIQUID CRYSTAL COMPOSITION | JNC PETROCHEMICAL CORPORATION (JP) | 2012-09-13 | — | — | US | claimed |
| WO-2010077839-A1 | SUBSTITUTED OXINDOL CB2 AGONISTS FOR PAIN TREATMENT | WYETH LLC (FORMERLY KNOWN AS WYETH) (US) | 2010-07-08 | — | — | WO | claimed |
| EP-0195496-A2 | Use of xanthines in the treatment of proliferative skin disease | BEECHAM GROUP PLC (GB) | 1986-09-24 | — | — | EP | claimed |
| EP-0018135-B1 | XANTHINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS | BEECHAM - WUELFING GmbH & Co. KG (DE) | 1983-09-28 | — | — | EP | claimed |
| EP-0017478-B1 | DIALKOXY- AND DIOXACYCLOALKYL-ALKYLTHEOBROMINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR PREPARATION | BEECHAM - WUELFING GmbH & Co. KG (DE) | 1983-03-30 | — | — | EP | claimed |
| EP-0017478-A1 | Dialkoxy- and dioxacycloalkyl-alkyltheobromines, pharmaceutical compositions containing them and their preparation | BEECHAM - WUELFING GmbH & Co. KG (DE) | 1980-10-15 | — | — | EP | claimed |
| US-3958003-A | HETEROCYCLIC COMPOUND, ANALGESICS CENTRAL NERVOUS SYSTEM DEPRESSANT | SANDOZ LTD. (CH) | 1976-05-18 | — | — | US | claimed |
| JP-2160720-A | — | — | None | — | — | JP | disclosed |
| WO-2024084028-A1 | PYRIDINE COMPOUNDS FOR COMBATTING DIHYDROOROTATE-DEHYDROGENASE INHIBITOR-RESISTANT PHYTOPATHOGENIC FUNGI | BASF SE (DE) | 2024-04-25 | — | — | WO | disclosed |
| CN-115023431-B | Triterpene compounds, pharmaceutical compositions thereof and use thereof in the treatment of diseases mediated by member 1 of the nuclear receptor subfamily 4 | 藤济(厦门)生物医药科技有限公司 | 2024-02-02 | — | — | CN | disclosed |
| US-20230406833-A1 | HERBICIDAL MALONAMIDES | BASF SE (DE) | 2023-12-21 | — | — | US | disclosed |
| CN-117203196-A | PDE4 degrading agents, pharmaceutical compositions and therapeutic applications | 拜欧斯瑞克斯公司 | 2023-12-08 | — | — | CN | disclosed |
| EP-0017478-A1 | Dialkoxy- and dioxacycloalkyl-alkyltheobromines, pharmaceutical compositions containing them and their preparation | BEECHAM - WUELFING GmbH & Co. KG (DE) | 1980-10-15 | — | — | EP | disclosed |
| EP-0017478-A1 | Dialkoxy- and dioxacycloalkyl-alkyltheobromines, pharmaceutical compositions containing them and their preparation | BEECHAM - WUELFING GmbH & Co. KG (DE) | 1980-10-15 | — | — | EP | disclosed |
| US-4209444-A | INHIBITORS OF AGGREGATION OR ADHESION OF THROMBOCYTES | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1980-06-24 | — | — | US | disclosed |
| US-3958003-A | HETEROCYCLIC COMPOUND, ANALGESICS CENTRAL NERVOUS SYSTEM DEPRESSANT | SANDOZ LTD. (CH) | 1976-05-18 | — | — | US | disclosed |
| US-3903111-A | 4-{8 3-Phenyl-pyrrolidin-1-yl{9 -butyrophenone derivatives | SANDOZ LTD | 1975-09-02 | — | — | US | disclosed |