⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28028015 | 0.73 | — | — | |
| SCHEMBL28027393 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL28027445 | 0.71 | PTPN1 (0.31) | — | |
| SCHEMBL28027372 | 0.70 | PTGS2 (0.31) | — | |
| SCHEMBL658198 | 0.62 | PTGS2 (0.31) | — | |
| SCHEMBL28121903 | 0.60 | ALDH1A1 (0.32) | — | |
| SCHEMBL27478823 | 0.53 | CYP4F2 (0.38) | — | |
| SCHEMBL28821786 | 0.52 | KDM4E (0.40) | — | |
| SCHEMBL1742669 | 0.51 | BRD4 (0.34) | — | |
| SCHEMBL16104763 | 0.51 | ALDH1A1 (0.39) | — |
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-104870429-A | Benzofuran derivative, preparation method therefor, and medical application thereof | SICHUAN HAISCO PHARMACEUTICAL CO LTD | 2015-08-26 | — | — | CN | disclosed |