⚠ 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 SCHEMBL295 | 0.96 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL39465 | 0.96 | ALDH1A1 (0.50) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL3507077 | 0.96 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL3950101 | 0.96 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL23094034 | 0.92 | ALDH1A1 (0.47) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL25292545 | 0.92 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL567242 | 0.92 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL25287607 | 0.92 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL337988 | 0.92 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL25293989 | 0.92 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117561259-A | Preparation method of nitrogen-containing polycyclic condensed ring compound, intermediate and application thereof | 北京志健金瑞生物医药科技有限公司 | 2024-02-13 | — | — | CN | claimed |
| CN-115594678-B | Preparation method of nitrogen-containing polycyclic condensed ring compound, intermediate and application thereof | 北京志健金瑞生物医药科技有限公司 | 2024-11-15 | — | — | CN | disclosed |
| CN-117561259-A | Preparation method of nitrogen-containing polycyclic condensed ring compound, intermediate and application thereof | 北京志健金瑞生物医药科技有限公司 | 2024-02-13 | — | — | CN | disclosed |