⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28077295 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL27762322 | 0.71 | — | — | |
| SCHEMBL10999068 | 0.71 | — | — | |
| SCHEMBL31383402 | 0.70 | — | — | |
| SCHEMBL4344895 | 0.70 | — | — | |
| SCHEMBL8301044 | 0.70 | — | — | |
| Water SCHEMBL10730329 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL28177100 | 0.68 | — | — | |
| SCHEMBL31046946 | 0.67 | — | — | |
| SCHEMBL27666729 | 0.67 | — | — |
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-115403494-A | Method for synthesizing beta-hydroxy sulfone derivative through alkene dual functionalization initiated by oxygen under mild condition | 湘潭大学 | 2022-11-29 | — | — | CN | disclosed |