⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16723270 | 0.70 | — | — | |
| SCHEMBL16723287 | 0.69 | FEN1 (0.39) | — | |
| SCHEMBL16723267 | 0.68 | HRH3 (0.33) | — | |
| SCHEMBL16723226 | 0.68 | — | — | |
| SCHEMBL16723200 | 0.67 | KDM4E (0.32) | — | |
| SCHEMBL16723271 | 0.66 | LMNA (0.33) | — | |
| SCHEMBL17021596 | 0.65 | BRD4 (0.56) | — | |
| SCHEMBL16723246 | 0.62 | TSHR (0.64) | — | |
| SCHEMBL16723269 | 0.61 | DPP4 (0.30) | — | |
| SCHEMBL16723248 | 0.61 | HSD11B1 (0.43) | — |
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 |