⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2005231 | 1.00 | ALDH1A1 (0.90) | — | |
| SCHEMBL1180554 | 0.95 | — | — | |
| Acetonitrile SCHEMBL8836994 | 0.82 | ALDH1A1 (0.75) | — | |
| Methyl Alcohol SCHEMBL28639463 | 0.82 | — | — | |
| SCHEMBL8546243 | 0.73 | ALDH1A1 (0.60) | — | |
| SCHEMBL11340227 | 0.70 | — | — | |
| SCHEMBL10635939 | 0.67 | — | — | |
| SCHEMBL3150854 | 0.67 | — | — | |
| SCHEMBL7524186 | 0.67 | — | — | |
| SCHEMBL2002136 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113149885-A | EBNA1 inhibitors and methods of using the same | 威斯塔解剖学和生物学研究所 | 2021-07-23 | — | — | CN | disclosed |
| CN-107848964-B | EBNA1 inhibitors and methods of using the same | 威斯塔解剖学和生物学研究所 | 2021-03-19 | — | — | CN | disclosed |
| CN-106565648-B | The synthetic method of fluorine-containing alkyl-substituted 2,3- dihydro-benzofuran derivative and indole derivatives | 华南理工大学 | 2018-12-11 | — | — | CN | disclosed |
| CN-106565648-A | Synthetic method of fluorine-containing alkyl substituted 2,3-dihydrocoumarone derivatives and indole derivatives | 华南理工大学 | 2017-04-19 | — | — | CN | disclosed |