⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1685292 | 0.81 | — | — | |
| Water SCHEMBL19639225 | 0.78 | — | — | |
| Bromide SCHEMBL10570636 | 0.78 | — | — | |
| SCHEMBL3747159 | 0.77 | — | — | |
| SCHEMBL15679696 | 0.77 | — | — | |
| SCHEMBL12191272 | 0.77 | — | — | |
| SCHEMBL26607784 | 0.77 | — | — | |
| SCHEMBL1936664 | 0.77 | — | — | |
| SCHEMBL10075630 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL18209368 | 0.73 | KDM4E (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020057356-A1 | ORGANIC METAL-FREE CATALYST HAVING BOTH ELECTROPHILIC AND NUCLEOPHILIC FUNCTIONS, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF | 浙江大学 | 2020-03-26 | — | — | WO | disclosed |