⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4397449 | 0.84 | — | — | |
| SCHEMBL12301819 | 0.78 | KDM4E (0.31) | — | |
| SCHEMBL1239469 | 0.77 | — | — | |
| SCHEMBL12301829 | 0.76 | — | — | |
| SCHEMBL84664 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL8188453 | 0.61 | — | — | |
| SCHEMBL363596 | 0.58 | — | — | |
| SCHEMBL8471071 | 0.58 | — | — | |
| SCHEMBL1091034 | 0.58 | — | — | |
| SCHEMBL9208039 | 0.58 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114196454-B | Solid fuel containing high nitrogen compound | 中国人民解放军国防科技大学 | 2023-02-03 | — | — | CN | claimed |
| CN-114196454-A | Solid fuel containing high nitrogen compound | 中国人民解放军国防科技大学 | 2022-03-18 | — | — | CN | claimed |
| US-20030168140-A1 | 3,6BIS(1H-1,2,3,4-TETRAZOL-5-YLAMINO)-1,2,4,5-TETRAZINE OR SALT THEREOF | TRIAD NATIONAL SECURITY, LLC | 2003-09-11 | — | — | US | claimed |
| CN-114196454-B | Solid fuel containing high nitrogen compound | 中国人民解放军国防科技大学 | 2023-02-03 | — | — | CN | disclosed |
| CN-114196454-B | Solid fuel containing high nitrogen compound | 中国人民解放军国防科技大学 | 2023-02-03 | — | — | CN | disclosed |
| CN-114196454-A | Solid fuel containing high nitrogen compound | 中国人民解放军国防科技大学 | 2022-03-18 | — | — | CN | disclosed |
| CN-114196454-A | Solid fuel containing high nitrogen compound | 中国人民解放军国防科技大学 | 2022-03-18 | — | — | CN | disclosed |
| CN-110590750-B | Preparation method and application of novel tetrazine imidazole ylide | 首都师范大学 | 2020-10-02 | — | — | CN | disclosed |
| CN-210583432-U | Solid propellant type clean gas automatic fire extinguishing device | 中商巨建智慧交通科技有限公司 | 2020-05-22 | — | — | CN | disclosed |
| CN-110590750-A | Preparation method and application of novel tetrazine imidazole ylide | 首都师范大学 | 2019-12-20 | — | — | CN | disclosed |