⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20746328 | 0.82 | — | — | |
| SCHEMBL17789623 | 0.81 | — | — | |
| SCHEMBL25773863 | 0.73 | — | — | |
| SCHEMBL21424108 | 0.73 | — | — | |
| SCHEMBL6920724 | 0.72 | TSHR (0.31) | — | |
| SCHEMBL12197813 | 0.70 | TSHR (0.30) | — | |
| SCHEMBL17897200 | 0.70 | — | — | |
| SCHEMBL2603301 | 0.68 | — | — | |
| SCHEMBL23338604 | 0.68 | — | — | |
| SCHEMBL8316026 | 0.67 | CHRM2 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017165839-A1 | METHODS AND COMPOSITION OF 4-SUBSTITUTED BENZOYLPIPERAZINE-1-SUBSTITUTED CARBONYLS AS BETA-CATENIN/B-CELL LYMPHOMA 9 INHIBITORS | UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) | 2017-09-28 | — | — | WO | disclosed |