⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3035469 | 1.00 | — | — | |
| SCHEMBL1626573 | 1.00 | — | — | |
| SCHEMBL11604316 | 0.83 | TSHR (0.53) | — | |
| SCHEMBL11604297 | 0.83 | TSHR (0.53) | — | |
| SCHEMBL3069874 | 0.83 | — | — | |
| SCHEMBL11604305 | 0.83 | TSHR (0.53) | — | |
| SCHEMBL5811359 | 0.79 | — | — | |
| SCHEMBL11335351 | 0.79 | THRB (0.50) | — | |
| SCHEMBL11335353 | 0.79 | THRB (0.50) | — | |
| SCHEMBL11511163 | 0.77 | — | — |
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 83 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110218194-B | Stable isotope labeled 3-methyl-quinoxaline-2-carboxylic acid and synthesis method thereof | 上海安谱实验科技股份有限公司 | 2023-03-31 | — | — | CN | claimed |
| CN-114539158-A | FXIa inhibitor compound and preparation method and application thereof | 沈阳药科大学 | 2022-05-27 | — | — | CN | claimed |
| EP-0246603-B1 | 4-HALOGENO-2-OXYIMINO-3-OXOBUTYRIC ACIDS | Takeda Chemical Industries, Ltd. (JP) | 1992-12-30 | — | — | EP | claimed |
| EP-0246603-A2 | 4-Halogeno-2-Oxyimino-3-Oxobutyric acids | Takeda Chemical Industries, Ltd. (JP) | 1987-11-25 | — | — | EP | claimed |
| EP-0049638-B1 | PROCESS FOR PREPARARING 5-METHYL-4-IMIDAZOLECARBOXYLIC ACID ESTERS | SMITHKLINE BECKMAN CORPORATION (US) | 1987-04-01 | — | — | EP | claimed |
| US-4328349-A | Process for preparing 5-methyl-4-imidazolecarboxylic acid esters | SK&F LAB CO. (US) | 1982-05-04 | — | — | US | claimed |
| EP-0049638-A1 | Process for prepararing 5-methyl-4-imidazolecarboxylic acid esters | SMITHKLINE BECKMAN CORPORATION (US) | 1982-04-14 | — | — | EP | claimed |
| US-11897890-B2 | 2-phenyl-3,4-dihydropyrrolo[2,1 -f] [1,2,4]triazinone derivatives as phosphodiesterase inhibitors and uses thereof | TOPADUR PHARMA AG (CH) | 2024-02-13 | — | — | US | disclosed |
| WO-2023111990-A1 | SELECTIVE PHD1 INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE | AKEBIA THERAPEUTICS, INC. (US) | 2023-06-22 | — | — | WO | disclosed |
| CN-110218194-B | Stable isotope labeled 3-methyl-quinoxaline-2-carboxylic acid and synthesis method thereof | 上海安谱实验科技股份有限公司 | 2023-03-31 | — | — | CN | disclosed |
| CN-115485352-A | Improved wavelength conversion film | 日东电工株式会社 | 2022-12-16 | — | — | CN | disclosed |
| CN-115298286-A | Boron-containing cyclic light-emitting compound and color conversion film comprising same | 日东电工株式会社 | 2022-11-04 | — | — | CN | disclosed |
| CN-115003778-A | Boron-containing cyclic light-emitting compound and color conversion film comprising same | 日东电工株式会社 | 2022-09-02 | — | — | CN | disclosed |
| EP-0049638-A1 | Process for prepararing 5-methyl-4-imidazolecarboxylic acid esters | SMITHKLINE BECKMAN CORPORATION (US) | 1982-04-14 | — | — | EP | disclosed |
| US-4284631-A | 7-Substituted cephem compounds and pharmaceutical antibacterial compositions containing them | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1981-08-18 | — | — | US | disclosed |
| US-4278671-A | ANTIBIOTICS, BACTERICIDES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1981-07-14 | — | — | US | disclosed |
| US-4258041-A | BROAD SPECTRUM ANTIBIOTIC EFFECTIVE AGAINST PSEUDOMONAS | GLAXO GROUP LIMITED (GB) | 1981-03-24 | — | — | US | disclosed |
| US-4161591-A | SUBSTITUTED 2-(CARBAMOYL)OXYIMINO-3-IMINO-BUTYRAMIDES AND -BUTYRATES, APHIDICIDES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1979-07-17 | — | — | US | disclosed |
| US-4151296-A | APHIDICIDES, SYSTEMIC AND FOLIAR | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1979-04-24 | — | — | US | disclosed |
| US-4059623-A | APHIDICIDE | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1977-11-22 | — | — | US | disclosed |