⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24113961 | 0.82 | — | — | |
| SCHEMBL16162898 | 0.77 | — | — | |
| SCHEMBL5739240 | 0.74 | — | — | |
| SCHEMBL24224384 | 0.70 | — | — | |
| SCHEMBL23637634 | 0.70 | — | — | |
| SCHEMBL12879510 | 0.64 | — | — | |
| SCHEMBL21275016 | 0.64 | — | — | |
| SCHEMBL22954306 | 0.64 | — | — | |
| SCHEMBL13765118 | 0.64 | — | — | |
| SCHEMBL26231988 | 0.64 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117203202-A | Quinoxaline derivative and use thereof | 黑钻治疗公司 | 2023-12-08 | — | — | CN | disclosed |
| CN-116332943-A | Preparation method of drug intermediate disubstituted 1,6-dihydropyrrolo [2,3-g ] indazole derivative | 南京苏亦欣医药科技有限公司 | 2023-06-27 | — | — | CN | disclosed |
| CN-116253733-A | Preparation method of drug intermediate imidazo [1,2-a ] pyridine compound | 南京欣久医药科技有限公司 | 2023-06-13 | — | — | CN | disclosed |
| CN-116194439-A | SOCE inhibitors and therapeutic uses thereof | 国家医疗保健研究所 | 2023-05-30 | — | — | CN | disclosed |
| CN-114230523-A | Benzimidazole derivatives as modulators of ROR-gamma | 生命医药有限责任公司 | 2022-03-25 | — | — | CN | disclosed |
| WO-2016087618-A1 | IMIDAZOLE-BASED ANTIMICROBIAL AGENTS | PROCOMCURE BIOTECH GMBH (AT) | 2016-06-09 | — | — | WO | disclosed |
| WO-2016087616-A1 | IMIDAZOLE-BASED ANTIMICROBIAL AGENTS | PROCOMCURE BIOTECH GMBH (AT) | 2016-06-09 | — | — | WO | disclosed |
| WO-2016020295-A1 | OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES | NUEVOLUTION A/S (DK) | 2016-02-11 | — | — | WO | disclosed |
| EP-2060570-B1 | Azabicyclo[3.1.0] hexane derivatives useful as modulators of dopamine D3 receptors | GLAXO GROUP LTD (GB) | 2012-01-25 | — | — | EP | disclosed |
| EP-1491610-B1 | Organic electroluminescent device | CANON KK (JP) | 2010-11-24 | — | — | EP | disclosed |
| EP-1891056-B1 | NOVEL COMPOUNDS | GLAXO GROUP LTD (GB) | 2010-10-13 | — | — | EP | disclosed |
| EP-0252568-B1 | NEW ORGANOFLUORINE COMPOUNDS AND A BIOCHEMICAL PROCESS FOR THEIR PREPARATION | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1993-01-27 | — | — | EP | disclosed |
| US-4877732-A | CULTURING STRAIN OF PSEUDOMONAS PUTIDA WITH BENZOTRIFLUORIDE OR ANALOGS | SHELL OIL COMPANY (US) | 1989-10-31 | — | — | US | disclosed |
| EP-0252568-A2 | New organofluorine compounds and a biochemical process for their preparation | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1988-01-13 | — | — | EP | disclosed |