⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13643312 | 0.84 | — | — | |
| Toluene SCHEMBL112707 | 0.82 | — | — | |
| SCHEMBL2475941 | 0.80 | — | — | |
| P-Cresol SCHEMBL17926780 | 0.80 | — | — | |
| SCHEMBL13916850 | 0.76 | CA5A (0.36) | — | |
| Hydrochloric Acid SCHEMBL2473504 | 0.76 | — | — | |
| SCHEMBL5928324 | 0.75 | — | — | |
| SCHEMBL8638466 | 0.74 | ALDH1A1 (0.36) | — | |
| 4-Nitrotoluene SCHEMBL3133111 | 0.74 | TSHR (0.48) | — | |
| M-Xylene SCHEMBL17836908 | 0.72 | — | — |
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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112345682-B | Detection method for benzene volatile organic components and application thereof | 中国第一汽车股份有限公司 | 2023-06-30 | — | — | CN | claimed |
| CN-111443145-B | Method for measuring volatile organic compounds in biological sample | 生态环境部南京环境科学研究所 | 2022-10-04 | — | — | CN | claimed |
| CN-112345682-B | Detection method for benzene volatile organic components and application thereof | 中国第一汽车股份有限公司 | 2023-06-30 | — | — | CN | disclosed |
| US-11020731-B2 | Catalysts for selective coupling of olefins, and methods of making and using same | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2021-06-01 | — | — | US | disclosed |
| US-11021421-B2 | Preparing unsaturated carbocyclic compounds | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2021-06-01 | — | — | US | disclosed |
| US-10953393-B2 | Stabilization of active metal catalysts at metal-organic framework nodes for highly efficient organic transformations | THE UNIVERSITY OF CHICAGO (US) | 2021-03-23 | — | — | US | disclosed |
| US-20200109297-A1 | ENZYMATIC ANTIMICROBIAL AND ANTIFOULING COATINGS AND POLYMERIC MATERIALS | REACTIVE SURFACES, LTD., LLP (US) | 2020-04-09 | — | — | US | disclosed |
| US-10413769-B2 | Paint having cell wall particulate material with a protective organophosphorus esterase | REACTIVE SURFACES, LTD., LLP (US) | 2019-09-17 | — | — | US | disclosed |
| US-20190126260-A1 | Catalysts for Selective Coupling of Olefins, and Methods of Making and Using Same | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY | 2019-05-02 | — | — | US | disclosed |
| US-20180361370-A1 | STABILIZATION OF ACTIVE METAL CATALYSTS AT METAL-ORGANIC FRAMEWORK NODES FOR HIGHLY EFFICIENT ORGANIC TRANSFORMATIONS | NATIONAL SCIENCE FOUNDATION | 2018-12-20 | — | — | US | disclosed |
| US-20180362420-A1 | PREPARING UNSATURATED CARBOCYCLIC COMPOUNDS | INTERNATIONAL FLAVORS & FRAGRANCES INC. | 2018-12-20 | — | — | US | disclosed |
| US-20090208445-A1 | Compositions Comprising Eucalyptol And/Or Ocimene And/Or Farnesol For Use As Bumblebee Pheromones | QUEEN MARY & WESTFIELD COLLEGE (GB) | 2009-08-20 | — | — | US | disclosed |
| EP-1208108-B1 | POLYMERISATION PROCESS CATALYSED BY A BIDENTATE BISPHOSPHINE-GROUP VIII METAL COMPLEX | INEOS EUROPE LTD (GB) | 2007-05-09 | — | — | EP | disclosed |
| US-7022788-B2 | Polymerization process catalyzed by a bidentate bisphosphine-group VIII metal complex | BP CHEMICALS LIMITED (GB) | 2006-04-04 | — | — | US | disclosed |
| US-20040175407-A1 | Microorganism coating components, coatings, and coated surfaces | REACTIVE SURFACES, LTD. | 2004-09-09 | — | — | US | disclosed |
| US-20040109853-A1 | Detoxification surfaces using phosphoric triester hydrolases | REACTIVE SURFACES, LTD. | 2004-06-10 | — | — | US | disclosed |
| EP-0779293-B1 | 1,2-Dioxetane derivatives as chemiluscent agents | FUJIREBIO KK (JP) | 2001-10-24 | — | — | EP | disclosed |
| EP-0799842-B1 | BLOCK COPOLYMER AND PROCESS FOR PRODUCING THE SAME | MITSUBISHI RAYON CO (JP) | 2000-03-15 | — | — | EP | disclosed |
| EP-0799842-A1 | BLOCK COPOLYMER AND PROCESS FOR PRODUCING THE SAME | MITSUBISHI RAYON CO., LTD. (JP) | 1997-10-08 | — | — | EP | disclosed |
| EP-0779293-A1 | 1,2-Dioxetane derivatives as chemiluscent agents | FUJIREBIO Inc. (JP) | 1997-06-18 | — | — | EP | disclosed |