⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL762994 | 0.78 | — | — | |
| SCHEMBL11089123 | 0.78 | — | — | |
| SCHEMBL21316634 | 0.78 | — | — | |
| SCHEMBL1728279 | 0.78 | — | — | |
| SCHEMBL11289113 | 0.74 | — | — | |
| SCHEMBL11731364 | 0.73 | NR4A1 (0.32) | — | |
| SCHEMBL755197 | 0.72 | — | — | |
| SCHEMBL13750213 | 0.72 | ALDH1A1 (0.36) | — | |
| SCHEMBL5962515 | 0.72 | KDM4E (0.31) | — | |
| SCHEMBL7814837 | 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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110156704-B | 1,2, 4-triazole thioether derivative, crystal structure and application thereof | 湖南大学 | 2023-06-09 | — | — | CN | claimed |
| CN-116199643-A | Phenothiazine compound containing isopropanol substructure, and preparation and application thereof | 贵州大学 | 2023-06-02 | — | — | CN | claimed |
| CN-104829598-A | Quinazolinone compound containing 1, 2, 4-triazole thioether and synthesizing method and application of quinazolinone compound | UNIV GUIZHOU | 2015-08-12 | — | — | CN | claimed |
| CN-118344340-A | Quinolinone compound containing 1,2, 4-triazole or 1,3, 4-oxadiazole structure and preparation and application thereof | 贵州大学 | 2024-07-16 | — | — | CN | disclosed |
| CN-110156704-B | 1,2, 4-triazole thioether derivative, crystal structure and application thereof | 湖南大学 | 2023-06-09 | — | — | CN | disclosed |
| CN-110156704-B | 1,2, 4-triazole thioether derivative, crystal structure and application thereof | 湖南大学 | 2023-06-09 | — | — | CN | disclosed |
| CN-110156704-B | 1,2, 4-triazole thioether derivative, crystal structure and application thereof | 湖南大学 | 2023-06-09 | — | — | CN | disclosed |
| CN-116199643-A | Phenothiazine compound containing isopropanol substructure, and preparation and application thereof | 贵州大学 | 2023-06-02 | — | — | CN | disclosed |
| CN-116003335-A | Method for preparing phenylthio-1, 2, 4-triazole compound by continuous coupling | 沈阳化工研究院有限公司 | 2023-04-25 | — | — | CN | disclosed |
| CN-113372335-B | Phenylalanine derivative containing 1,2, 4-triazole thioether as well as preparation method and application thereof | 山东大学 | 2023-02-24 | — | — | CN | disclosed |
| CN-113372335-B | Phenylalanine derivative containing 1,2, 4-triazole thioether as well as preparation method and application thereof | 山东大学 | 2023-02-24 | — | — | CN | disclosed |
| CN-104829598-B | Quinazolinone compound containing 1, 2, 4-triazole thioether and synthesizing method and application of quinazolinone compound | 贵州大学 | 2017-05-10 | — | — | CN | disclosed |
| CN-104829598-B | Quinazolinone compound containing 1, 2, 4-triazole thioether and synthesizing method and application of quinazolinone compound | 贵州大学 | 2017-05-10 | — | — | CN | disclosed |
| EP-2389358-B1 | SYNTHETIC PROCESS FOR ANTICANCER DRUG FLUORAPACIN AND TRISULFIDE DERIVATIVES | ACEA BIOSCIENCES INC (US) | 2015-09-16 | — | — | EP | disclosed |
| CN-104829598-A | Quinazolinone compound containing 1, 2, 4-triazole thioether and synthesizing method and application of quinazolinone compound | UNIV GUIZHOU | 2015-08-12 | — | — | CN | disclosed |
| CN-104829598-A | Quinazolinone compound containing 1, 2, 4-triazole thioether and synthesizing method and application of quinazolinone compound | UNIV GUIZHOU | 2015-08-12 | — | — | CN | disclosed |
| CN-104829598-A | Quinazolinone compound containing 1, 2, 4-triazole thioether and synthesizing method and application of quinazolinone compound | UNIV GUIZHOU | 2015-08-12 | — | — | CN | disclosed |
| CN-104327043-A | Acridinethioether-typed derivative, preparation method and application thereof | UNIV GUANGXI CHINESE MEDICINE | 2015-02-04 | — | — | CN | disclosed |
| CN-104327045-A | Acridine thioether derivative, preparation method and uses thereof | UNIV GUANGXI CHINESE MEDICINE | 2015-02-04 | — | — | CN | disclosed |
| WO-2010083625-A1 | SYNTHETIC PROCESS FOR ANTICANCER DRUG FLUORAPACIN AND TRISULFIDE DERIVATIVES | ACEA BIOSCIENCES INC. (US) | 2010-07-29 | — | — | WO | disclosed |