⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16722956 | 0.89 | HCRTR2 (0.30) | — | |
| SCHEMBL16722960 | 0.86 | — | — | |
| SCHEMBL16722922 | 0.85 | TSHR (0.41) | — | |
| SCHEMBL16722961 | 0.84 | — | — | |
| SCHEMBL16722940 | 0.83 | — | — | |
| SCHEMBL16722934 | 0.83 | GAA (0.40) | — | |
| SCHEMBL16722952 | 0.81 | RAB9A (0.36) | — | |
| SCHEMBL16722928 | 0.81 | HCRTR2 (0.32) | — | |
| SCHEMBL16723306 | 0.80 | MAPT (0.37) | — | |
| SCHEMBL16722949 | 0.80 | HCRTR2 (0.30) | — |
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-2015074081-A1 | BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS | BAIR KENNETH W (US) | 2015-05-21 | — | — | WO | disclosed |