⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2141526 | 0.71 | — | — | |
| SCHEMBL14490234 | 0.71 | CYP1A2 (0.31) | — | |
| SCHEMBL2064601 | 0.71 | TDP1 (0.32) | — | |
| SCHEMBL23530327 | 0.71 | TDP1 (0.32) | — | |
| SCHEMBL24385687 | 0.71 | — | — | |
| SCHEMBL14646727 | 0.69 | — | — | |
| Fluoride SCHEMBL19812463 | 0.69 | — | — | |
| SCHEMBL26132660 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL1513859 | 0.69 | — | — | |
| SCHEMBL21698481 | 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-112028870-B | Compound with benzyloxy aromatic ring structure, preparation method and application thereof | 中国科学院上海药物研究所 | 2021-11-05 | — | — | CN | disclosed |