⚠ 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 | |
|---|---|---|---|---|
| Sulfamate SCHEMBL8179030 | 0.87 | — | — | |
| Methanesulfonamide SCHEMBL3425592 | 0.86 | — | — | |
| Dimethyl Sulfone SCHEMBL8778726 | 0.86 | — | — | |
| Propanol SCHEMBL7211728 | 0.83 | — | — | |
| Propanol SCHEMBL28376464 | 0.83 | CA2 (0.39) | — | |
| Methanesulfonamide SCHEMBL10465450 | 0.82 | — | — | |
| Sulfuric Acid SCHEMBL921213 | 0.79 | — | — | |
| Propanol SCHEMBL28533351 | 0.78 | TSHR (0.39) | — | |
| Propanol SCHEMBL28060000 | 0.78 | — | — | |
| Sulfuric Acid SCHEMBL8613115 | 0.76 | CA5A (0.43) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108210499-B | Application of lutein in preparation of tumor chemoradiotherapy sensitizer and antitumor pharmaceutical composition | 丽水学院 | 2021-02-19 | — | — | CN | disclosed |