⚠ 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 | |
|---|---|---|---|---|
| Trifluoromethanesulfonic Acid SCHEMBL25272154 | 0.98 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL25420933 | 0.97 | — | — | |
| Sulfuric Acid SCHEMBL21483558 | 0.88 | MEN1 (0.32) | — | |
| Trifluoromethanesulfonamide SCHEMBL2118733 | 0.87 | CA1 (0.37) | — | |
| Trifluoromethanesulfonamide SCHEMBL3483238 | 0.87 | CA1 (0.37) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL4553125 | 0.87 | ACHE (0.35) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL133212 | 0.87 | ACHE (0.35) | — | |
| SCHEMBL1045960 | 0.86 | MEN1 (0.31) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL15768575 | 0.86 | ACHE (0.33) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL28176082 | 0.84 | SMN1; SMN2 (0.34) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113166079-A | Redox active compounds and their use | 克姆布鲁项目公司 | 2021-07-23 | — | — | CN | disclosed |
| CN-108711636-B | Combined electrolyte type dual-ion rocking chair type secondary battery and preparation method thereof | 南京大学 | 2020-01-14 | — | — | CN | disclosed |
| US-20140377551-A1 | PRESSURE-SENSITIVE ADHESIVE COMPOSITION, SURFACE PROTECTIVE FILM, AND OPTICAL MEMBER | NITTO DENKO CORPORATION (JP) | 2014-12-25 | — | — | US | disclosed |
| CN-1968927-A | Enantioselektive preparation of quinoline derivative | NOVARTIS AG (CH) | 2007-05-23 | — | — | CN | disclosed |