⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28821789 | 0.86 | ALDH1A1 (0.30) | — | |
| SCHEMBL658523 | 0.72 | ALDH1A1 (0.32) | — | |
| SCHEMBL28027445 | 0.69 | PTPN1 (0.31) | — | |
| SCHEMBL28027369 | 0.68 | ALDH1A1 (0.30) | — | |
| SCHEMBL3830562 | 0.64 | PDE4D (0.37) | — | |
| SCHEMBL3600451 | 0.62 | MAOA (0.31) | — | |
| SCHEMBL28027398 | 0.59 | ALDH1A1 (0.32) | — | |
| SCHEMBL28027996 | 0.58 | ALDH1A1 (0.35) | — | |
| SCHEMBL28027978 | 0.57 | RXFP1 (0.43) | — | |
| SCHEMBL3605401 | 0.57 | MAOA (0.41) | — |
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 |