⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4113175 | 0.73 | — | — | |
| SCHEMBL1357 | 0.61 | — | — | |
| SCHEMBL29859818 | 0.61 | — | — | |
| SCHEMBL14722063 | 0.61 | — | — | |
| SCHEMBL30051067 | 0.61 | — | — | |
| Hydrogen Sulfide SCHEMBL1485812 | 0.55 | — | — | |
| SCHEMBL1485806 | 0.55 | — | — | |
| SCHEMBL668487 | 0.55 | — | — | |
| Methane SCHEMBL1005333 | 0.55 | — | — | |
| SCHEMBL3248062 | 0.55 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119930486-A | Para-toluenesulfonyl modified difluoro acetonitrile precursor compound, and synthetic method and application thereof | 平顶山学院 | 2025-05-06 | — | — | CN | disclosed |
| CN-118440020-B | Synthesis method of 6- (difluoromethyl) -1,2, 4-triazine-3, 5 (2H, 4H) -dione compound | 南开大学 | 2025-01-28 | — | — | CN | disclosed |
| CN-118440020-A | Synthesis method of 6- (difluoromethyl) -1,2, 4-triazine-3, 5 (2H, 4H) -dione compound | 南开大学 | 2024-08-06 | — | — | CN | disclosed |
| US-20230229077-A1 | PHOTOACID GENERATOR FOR CHEMICALLY AMPLIFIED PHOTORESISTS FOR DEEP ULTRAVIOLET AND EXTREME ULTRAVIOLET LITHOGRAPHY | INTERNATIONAL BUSINESS MACHINES CORPORATION | 2023-07-20 | — | — | US | disclosed |
| EP-1329160-A2 | 4-ACYLAMINOPYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-07-23 | — | — | EP | disclosed |