⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8698036 | 0.80 | — | — | |
| SCHEMBL3648857 | 0.80 | — | — | |
| SCHEMBL6290138 | 0.78 | — | — | |
| SCHEMBL4882296 | 0.78 | — | — | |
| SCHEMBL7880858 | 0.75 | — | — | |
| SCHEMBL1324567 | 0.75 | — | — | |
| SCHEMBL1765080 | 0.73 | EGLN1 (0.44) | — | |
| Hydrogen Peroxide SCHEMBL8356290 | 0.73 | EGLN1 (0.44) | — | |
| SCHEMBL289921 | 0.73 | — | — | |
| SCHEMBL1777471 | 0.72 | ALDH1A1 (0.39) | — |
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-106732669-A | A kind of MoS as photoelectrocatalysis liberation of hydrogen material2/In2S3Composite catalyst and preparation method thereof | 北京化工大学 | 2017-05-31 | — | — | CN | disclosed |