⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30639721 | 0.79 | LIPG (0.39) | — | |
| SCHEMBL522165 | 0.79 | LIPG (0.39) | — | |
| SCHEMBL13100346 | 0.78 | — | — | |
| SCHEMBL13457775 | 0.78 | HCAR2 (0.31) | — | |
| SCHEMBL13100337 | 0.76 | ROCK2 (0.31) | — | |
| SCHEMBL13100275 | 0.75 | RAF1 (0.30) | — | |
| SCHEMBL4942107 | 0.74 | BRD4 (0.39) | — | |
| SCHEMBL13029019 | 0.73 | CYP11B1 (0.33) | — | |
| SCHEMBL13029000 | 0.73 | CHRNB2 (0.32) | — | |
| SCHEMBL12188816 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120071514-A1 | BENZOXAZOLONE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS | NOVARTIS AG (CH) | 2012-03-22 | — | — | US | disclosed |