⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL660223 | 0.89 | — | — | |
| SCHEMBL658067 | 0.78 | — | — | |
| SCHEMBL8713292 | 0.70 | — | — | |
| SCHEMBL660370 | 0.69 | TACR1 (0.33) | — | |
| SCHEMBL659070 | 0.67 | — | — | |
| SCHEMBL656157 | 0.67 | NR1I2 (0.33) | — | |
| SCHEMBL661016 | 0.65 | — | — | |
| SCHEMBL9201658 | 0.63 | — | — | |
| SCHEMBL659619 | 0.62 | USP2 (0.38) | — | |
| SCHEMBL660943 | 0.62 | EZH2 (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2406243-A1 | BENZOFURAN DERIVATIVES | Takeda Pharmaceutical Company Limited (JP) | 2012-01-18 | — | — | EP | disclosed |
| WO-2010104194-A1 | BENZOFURAN DERIVATIVES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-09-16 | — | — | WO | disclosed |