⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4236011 | 0.75 | — | — | |
| SCHEMBL4236006 | 0.75 | — | — | |
| SCHEMBL4236007 | 0.75 | — | — | |
| SCHEMBL20278030 | 0.75 | CYP3A4 (0.33) | — | |
| SCHEMBL21029914 | 0.75 | CYP3A4 (0.33) | — | |
| SCHEMBL12162287 | 0.66 | CYP3A4 (0.35) | — | |
| SCHEMBL1880354 | 0.62 | NR3C1 (0.41) | — | |
| SCHEMBL11636367 | 0.62 | NR3C1 (0.41) | — | |
| SCHEMBL267390 | 0.62 | NR3C1 (0.41) | — | |
| SCHEMBL13706117 | 0.62 | — | — |
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-20090062401-A1 | DECALINE-DERIVED COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS | UNIVERSITAT DORTMUND (DE) | 2009-03-05 | — | — | US | disclosed |