⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9831635 | 1.00 | — | — | |
| SCHEMBL9544545 | 0.82 | — | — | |
| SCHEMBL11302892 | 0.81 | TSHR (0.31) | — | |
| SCHEMBL994137 | 0.69 | — | — | |
| SCHEMBL15782742 | 0.69 | — | — | |
| SCHEMBL15976378 | 0.69 | — | — | |
| SCHEMBL8521259 | 0.69 | — | — | |
| SCHEMBL19575523 | 0.69 | — | — | |
| SCHEMBL16311869 | 0.65 | — | — | |
| SCHEMBL276855 | 0.65 | TSHR (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20200173045-A1 | N- and O-Doped Carbon with High Selectivity for Electrochemical H2O2 Production in Neutral Condition | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY | 2020-06-04 | — | — | US | disclosed |