⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1233777 | 1.00 | — | — | |
| SCHEMBL12880381 | 0.89 | — | — | |
| SCHEMBL12880384 | 0.87 | — | — | |
| SCHEMBL12880385 | 0.86 | — | — | |
| SCHEMBL915911 | 0.85 | — | — | |
| SCHEMBL28555045 | 0.84 | — | — | |
| SCHEMBL29558817 | 0.83 | — | — | |
| SCHEMBL12996714 | 0.83 | — | — | |
| SCHEMBL28561007 | 0.83 | — | — | |
| SCHEMBL12887566 | 0.83 | — | — |
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-112724092-B | Aryl sulfide derivative and synthesis method and application thereof | 山东康乔生物科技有限公司 | 2022-04-01 | — | — | CN | disclosed |