⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL272335 | 0.80 | — | — | |
| SCHEMBL6631663 | 0.80 | — | — | |
| SCHEMBL5363703 | 0.78 | — | — | |
| SCHEMBL8696920 | 0.78 | — | — | |
| Bromide SCHEMBL28109774 | 0.78 | CYP1A2 (0.57) | — | |
| SCHEMBL2050612 | 0.78 | — | — | |
| SCHEMBL8925454 | 0.78 | — | — | |
| SCHEMBL1515345 | 0.78 | — | — | |
| SCHEMBL6610357 | 0.78 | — | — | |
| SCHEMBL8726941 | 0.77 | LTA4H (0.52) | — |
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-114956933-A | Marker containing isotope oxygen atom and preparation method and application thereof | 清华大学 | 2022-08-30 | — | — | CN | disclosed |