⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4162279 | 1.00 | — | — | |
| SCHEMBL4152765 | 0.77 | — | — | |
| SCHEMBL4152769 | 0.77 | — | — | |
| SCHEMBL13963791 | 0.66 | MAOA (0.50) | — | |
| SCHEMBL4040169 | 0.62 | CES1 (0.50) | — | |
| SCHEMBL25203506 | 0.61 | CYP3A4 (0.37) | — | |
| SCHEMBL4156260 | 0.61 | MAOB (0.41) | — | |
| SCHEMBL4156261 | 0.61 | MAOB (0.41) | — | |
| SCHEMBL17073935 | 0.60 | HTR6 (0.40) | — | |
| SCHEMBL4036595 | 0.58 | HTT (0.44) | — |
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-20090149445-A1 | TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS | COGHLAN MICHAEL JOSEPH | 2009-06-11 | — | — | US | disclosed |