⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1059084 | 1.00 | — | — | |
| SCHEMBL7814020 | 1.00 | — | — | |
| SCHEMBL10024576 | 0.86 | — | — | |
| SCHEMBL6044888 | 0.86 | — | — | |
| SCHEMBL6044884 | 0.86 | — | — | |
| SCHEMBL907325 | 0.86 | — | — | |
| SCHEMBL2770216 | 0.86 | — | — | |
| SCHEMBL907326 | 0.86 | — | — | |
| SCHEMBL2770219 | 0.86 | — | — | |
| SCHEMBL19418916 | 0.84 | AKT1 (0.33) | — |
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 176 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5312969-A | Linear dicarbonylation of difunctionalized butenes | RHONE-POULENC CHIMIE (FR) | 1994-05-17 | — | — | US | claimed |
| US-4633015-A | CATALYTIC CARBONYLATION IN APROTIC SOLVENT, HYDROGENATION AND HYDROLYSIS | MONSANTO COMPANY (US) | 1986-12-30 | — | — | US | claimed |
| US-4611082-A | Production of hex-3-enedioate esters from 1,4 dialkoxy butenes | MONSANTO COMPANY (US) | 1986-09-09 | — | — | US | claimed |
| US-11339188-B2 | Compounds for the treatment of cancer | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2022-05-24 | — | — | US | 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 |
| EP-3939974-A1 | MODULATORS OF ROR-GAMMA | Vitae Pharmaceuticals, LLC (US) | 2022-01-19 | — | — | EP | disclosed |
| CN-109071509-B | Benzimidazole derivatives as modulators of ROR-gamma | 生命医药有限责任公司 | 2021-11-30 | — | — | CN | disclosed |
| EP-3582853-B1 | CYCLIC DI-NUCLEOTIDES COMPOUNDS FOR THE TREATMENT OF CANCER | EISAI R&D MAN CO LTD (JP) | 2021-11-17 | — | — | EP | disclosed |
| EP-2527420-B1 | LUBRICATING OIL COMPOSITION | JX NIPPON OIL & ENERGY CORP (JP) | 2021-09-29 | — | — | EP | disclosed |
| EP-3408268-B1 | BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF ROR-GAMMA | VITAE PHARMACEUTICALS LLC (US) | 2021-08-04 | — | — | EP | disclosed |
| US-20210094940-A1 | MODULATORS OF ROR-GAMMA | VITAE PHARMACEUTICALS, LLC | 2021-04-01 | — | — | US | disclosed |
| US-4633015-A | CATALYTIC CARBONYLATION IN APROTIC SOLVENT, HYDROGENATION AND HYDROLYSIS | MONSANTO COMPANY (US) | 1986-12-30 | — | — | US | disclosed |
| US-4611082-A | Production of hex-3-enedioate esters from 1,4 dialkoxy butenes | MONSANTO COMPANY (US) | 1986-09-09 | — | — | US | disclosed |
| US-4533761-A | REACTING BUTADIENE AND AN ALKANOL USING A COPPER REDOX CATALYST AND ALKALI METAL HALIDE | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1985-08-06 | — | — | US | disclosed |
| EP-0039486-B1 | PREPARATION OF FURAN COMPOUNDS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1983-08-17 | — | — | EP | disclosed |
| EP-0039486-A1 | Preparation of furan compounds | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1981-11-11 | — | — | EP | disclosed |
| US-4257960-A | FROM UNSATURATED DIOLS, ETHERS, OR ESTERS USING A COPPER REDOX SYSTEM | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1981-03-24 | — | — | US | disclosed |
| US-4168379-A | Pyridin-3-ols | BASF AKTIENGESELLSCHAFT (DE) | 1979-09-18 | — | — | US | disclosed |
| US-4022804-A | ADDITION REACTION; SULFONIC ACID BROMIDES, UNSATURATED COMPOUNDS | BASF AKTIENGESELLSCHAFT (DT) | 1977-05-10 | — | — | US | disclosed |
| US-3974092-A | COMPOUND, 6B, ORGANOALUMINUM COMPOUND, ETHER OF OLEFIN ALCOHOL | CHEMISCHE WERKE HULS AKTIENGESELLSCHAFT (DT) | 1976-08-10 | — | — | US | disclosed |