⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23033353 | 1.00 | — | — | |
| SCHEMBL15109001 | 1.00 | — | — | |
| SCHEMBL21102061 | 1.00 | — | — | |
| SCHEMBL777771 | 0.97 | — | — | |
| SCHEMBL3063404 | 0.90 | — | — | |
| SCHEMBL12327239 | 0.83 | — | — | |
| SCHEMBL1961706 | 0.83 | — | — | |
| SCHEMBL21253662 | 0.77 | — | — | |
| SCHEMBL3870817 | 0.73 | ALDH1A1 (0.30) | — | |
| SCHEMBL2603144 | 0.73 | — | — |
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 110 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102336643-B | Process for synthesizing benzoquinones by direct oxidation of phenols | BEIJING BOYUAN HENGSHENG HIGH TECHNOLOGY CO LTD | 2014-06-25 | — | — | CN | claimed |
| EP-1790639-B1 | SPIROCYCLIC COMPOUNDS AND THEIR USE AS CXCR4-ANTAGONISTS | ONO PHARMACEUTICAL CO (JP) | 2014-03-26 | — | — | EP | claimed |
| CN-102336643-A | Process for synthesizing benzoquinones by direct oxidation of phenols | BEIJING BOYUAN HENGSHENG HIGH TECHNOLOGY CO LTD | 2012-02-01 | — | — | CN | claimed |
| US-3935247-A | COBALT OR COPPER PHTHALOCYANINE CATALYST | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1976-01-27 | — | — | US | claimed |
| US-12100809-B2 | Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery | MITSUBISHI CHEMICAL CORPORATION (JP) | 2024-09-24 | — | — | US | disclosed |
| CN-117778339-A | Sulfoxide reductase mutant and application thereof in preparation of chiral sulfoxide and sulfinyl ester | 遵义医科大学 | 2024-03-29 | — | — | CN | disclosed |
| CN-117757763-A | Sulfoxide reductase mutant and application thereof in chiral sulfoxide preparation | 遵义医科大学 | 2024-03-26 | — | — | CN | disclosed |
| CN-115052856-A | 3-alkoxybenzamide derivative and pest control agent | 组合化学工业株式会社 | 2022-09-13 | — | — | CN | disclosed |
| US-20220149436-A1 | NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY | MITSUBISHI CHEMICAL CORPORATION (JP) | 2022-05-12 | — | — | US | disclosed |
| US-11283107-B2 | Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery | MITSUBISHI CHEMICAL CORPORATION (JP) | 2022-03-22 | — | — | US | disclosed |
| WO-2021153720-A1 | 3-ALKOXY BENZOIC ACID AMIDE DERIVATIVE, AND PEST CONTROL AGENT | クミアイ化学工業株式会社 | 2021-08-05 | — | — | WO | disclosed |
| EP-3621141-A1 | NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY | MITSUBISHI CHEMICAL CORPORATION (JP) | 2020-03-11 | — | — | EP | disclosed |
| US-5977206-A | Polycarbonate resin composition | MITSUBISHI ENGINEERING-PLASTICS CORP. (JP) | 1999-11-02 | — | — | US | disclosed |
| US-5948838-A | 0.01 TO 5 PARTS BY WEIGHT OF A COMPOUND CONTAINING OXYMETHYLENE UNIT | MITSUBISHI ENGINEERING-PLASTICS CORP. (JP) | 1999-09-07 | — | — | US | disclosed |
| EP-0794218-A2 | Polycarbonate resin composition stabilized against radiation | MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) | 1997-09-10 | — | — | EP | disclosed |
| EP-0753540-A2 | Polycarbonate resin composition | MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) | 1997-01-15 | — | — | EP | disclosed |
| US-4240923-A | STERICALLY HINDERED AMINO ALCOHOLS INCLUDING HETEROCYCLIC PIPERIDINE COMPOUNDS | EXXON RESEARCH & ENGINEERING CO. (US) | 1980-12-23 | — | — | US | disclosed |
| US-4240922-A | STERICALLY HINDERED AMINES INCLUDING HETEROCYCLIC COMPOUNDS AND TERTIARY AMINO ALCOHOLS INCREASE CARBON DIOXIDE ABSORBANCE | EXXON RESEARCH & ENGINEERING CO. (US) | 1980-12-23 | — | — | US | disclosed |
| US-4112051-A | Process and amine-solvent absorbent for removing acidic gases from gaseous mixtures | EXXON RESEARCH & ENGINEERING CO. (US) | 1978-09-05 | — | — | US | disclosed |
| US-4100257-A | Process and amine-solvent absorbent for removing acidic gases from gaseous mixtures | EXXON RESEARCH & ENGINEERING CO. (US) | 1978-07-11 | — | — | US | disclosed |