⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2762317 | 0.97 | — | — | |
| Acetonitrile SCHEMBL11673682 | 0.87 | ALDH1A1 (0.34) | — | |
| SCHEMBL4760584 | 0.82 | — | — | |
| Alcohol SCHEMBL3410011 | 0.78 | ALDH1A1 (0.32) | — | |
| SCHEMBL919515 | 0.78 | ALDH1A1 (0.47) | — | |
| SCHEMBL28439909 | 0.77 | — | — | |
| SCHEMBL3446870 | 0.77 | — | — | |
| Bicarbonate SCHEMBL10901198 | 0.76 | ALDH1A1 (0.44) | — | |
| SCHEMBL117701 | 0.75 | — | — | |
| SCHEMBL8747973 | 0.75 | ALDH1A1 (0.45) | — |
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 101 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115340491-B | Electrostatic-hydrogen bond chelating ionic liquid and preparation method and application thereof | 井冈山大学 | 2023-08-01 | — | — | CN | disclosed |
| US-20230110065-A1 | COMBINATION OF ANETHOLE TRITHIONE OR ITS DERIVATIVE, 4-OH-ANETHOLE TRITHIONE, WITH DOXYCYCLINE OR MINOCYCLINE FOR THE USE THEREOF IN THE TREATMENT OF PARKINSON'S DISEASE | PETITJEAN OLIVIER (FR) | 2023-04-13 | — | — | US | disclosed |
| US-11554106-B2 | Prevention of the risks associated with drug-induced QT interval prolongation by using a specific inhibitor of the production of ROS of miochondrial origin | CHILDS, MARC (FR) | 2023-01-17 | — | — | US | disclosed |
| EP-4103175-A1 | COMBINATION OF ANETHOLE TRITHIONE OR ITS DERIVATIVE, 4-OH-ANETHOLE TRITHIONE, WITH DOXYCYCLINE OR MINOCYCLINE FOR THE USE THEREOF IN THE TREATMENT OF PARKINSON'S DISEASE | Petitjean, Olivier (FR) | 2022-12-21 | — | — | EP | disclosed |
| CN-115340491-A | Electrostatic-hydrogen bond chelating ionic liquid and preparation method and application thereof | 井冈山大学 | 2022-11-15 | — | — | CN | disclosed |
| CN-115023420-A | Pesticidally active fused bicyclic heteroaromatic compounds | 先正达农作物保护股份公司 | 2022-09-06 | — | — | CN | disclosed |
| US-11400073-B2 | Prevention and treatment of benign prostatic hyperplasia using a selective inhibitor of the production of reactive oxygen species of mitochondrial origin | Petitjean, Olivier (FR) | 2022-08-02 | — | — | US | disclosed |
| US-11333976-B2 | Resin, photosensitive resin composition, electronic component and display device using the same | TORAY INDUSTRIES, INC. (JP) | 2022-05-17 | — | — | US | disclosed |
| US-20210289794-A1 | COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE | FLAGSHIP PIONEERING INNOVATIONS V, INC. | 2021-09-23 | — | — | US | disclosed |
| WO-2021160968-A1 | COMBINATION OF ANETHOLE TRITHIONE OR ITS DERIVATIVE, 4-OH-ANETHOLE TRITHIONE, WITH DOXYCYCLINE OR MINOCYCLINE FOR THE USE THEREOF IN THE TREATMENT OF PARKINSON'S DISEASE | PETITJEAN OLIVIER (FR) | 2021-08-19 | — | — | WO | disclosed |
| US-4537714-A | Process for the preparation of lower alkyl esters of N-L-α-aspartyl-L-phenylalanine and of new intermediates for their preparation | EPROVA AG FORSCHUNGSINSTITUT (CH) | 1985-08-27 | — | — | US | disclosed |
| EP-0099960-B1 | PROCESS FOR THE PREPARATION OF LOWER ALKYL ESTERS OF N-L-ALPHA-ASPARTYL-L-PHENYL ALANINE, AND INTERMEDIATES FOR THEIR MANUFACTURE | EPROVA AG Forschungsinstitut (CH) | 1985-04-10 | — | — | EP | disclosed |
| EP-0042161-B1 | K-41.C(2) ESTERS AND COMPOSITIONS CONTAINING THEM | Shionogi & Co., Ltd. (JP) | 1984-05-09 | — | — | EP | disclosed |
| EP-0099960-A1 | Process for the preparation of lower alkyl esters of N-L-alpha-aspartyl-L-phenyl alanine, and intermediates for their manufacture | EPROVA AG Forschungsinstitut (CH) | 1984-02-08 | — | — | EP | disclosed |
| US-4424212-A | MITICIDES, ANTIPROTOZOA AGENTS, COCCIDIOSIS, POLYETHER ANTIBIOTICS | SHIONOGI & CO., LTD. (JP) | 1984-01-03 | — | — | US | disclosed |
| EP-0081971-A2 | Novel cephalosporin compound and process for preparing the same | Tanabe Seiyaku Co., Ltd. (JP) | 1983-06-22 | — | — | EP | disclosed |
| US-4385176-A | RING EXPANSION USING A LEWIS ACID | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1983-05-24 | — | — | US | disclosed |
| US-4308380-A | 2-Lower alkyl-2 or 3-cephem-4-carboxylic acid derivatives | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1981-12-29 | — | — | US | disclosed |
| EP-0042161-A1 | K-41.C(2) Esters and compositions containing them | Shionogi & Co., Ltd. (JP) | 1981-12-23 | — | — | EP | disclosed |
| US-4113940-A | ANTIMICROBIAL | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1978-09-12 | — | — | US | disclosed |