⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26239582 | 0.86 | — | — | |
| SCHEMBL23960100 | 0.84 | CYP2A6 (0.33) | — | |
| SCHEMBL26027103 | 0.82 | DOT1L (0.36) | — | |
| SCHEMBL24606262 | 0.82 | DOT1L (0.36) | — | |
| SCHEMBL24606323 | 0.79 | TSHR (0.32) | — | |
| SCHEMBL24606316 | 0.73 | DOT1L (0.34) | — | |
| SCHEMBL26326827 | 0.73 | — | — | |
| SCHEMBL31430674 | 0.72 | POLRMT (0.34) | — | |
| SCHEMBL24606256 | 0.72 | DOT1L (0.34) | — | |
| SCHEMBL24606310 | 0.72 | DOT1L (0.36) | — |
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-2021213288-A1 | ANTIVIRAL APPLICATION OF NUCLEOSIDE ANALOG OR COMBINATION FORMULATION CONTAINING NUCLEOSIDE ANALOG | 中国科学院上海药物研究所 (CN) | 2021-10-28 | — | — | WO | disclosed |