⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30682997 | 0.71 | TAAR1 (0.46) | — | |
| SCHEMBL30994421 | 0.69 | — | — | |
| SCHEMBL30552513 | 0.67 | SIRT1 (0.37) | — | |
| SCHEMBL29072072 | 0.67 | BAZ2B (0.34) | — | |
| SCHEMBL23579810 | 0.65 | HTR6 (0.31) | — | |
| SCHEMBL29966845 | 0.65 | HTR6 (0.31) | — | |
| SCHEMBL23581054 | 0.63 | CDC7 (0.42) | — | |
| SCHEMBL24837860 | 0.62 | HTR6 (0.34) | — | |
| SCHEMBL30178955 | 0.62 | HTR2A (0.41) | — | |
| SCHEMBL24838310 | 0.62 | HTR6 (0.31) | — |
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-4656635-A1 | SUBSTITUTED BENZENE COMPOUND | Daiichi Sankyo Company, Limited (JP) | 2025-12-03 | — | — | EP | disclosed |
| WO-2024157953-A1 | SUBSTITUTED BENZENE COMPOUND | 第一三共株式会社 | 2024-08-02 | — | — | WO | disclosed |