⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4152769 | 1.00 | — | — | |
| SCHEMBL11139671 | 0.82 | HTR6 (0.33) | — | |
| SCHEMBL25203506 | 0.82 | CYP3A4 (0.37) | — | |
| SCHEMBL4153810 | 0.79 | MIF (0.39) | — | |
| SCHEMBL4153807 | 0.79 | MIF (0.39) | — | |
| SCHEMBL6414728 | 0.78 | LMNA (0.56) | — | |
| SCHEMBL6414724 | 0.78 | LMNA (0.56) | — | |
| SCHEMBL4162279 | 0.77 | — | — | |
| SCHEMBL4162276 | 0.77 | — | — | |
| SCHEMBL10566394 | 0.77 | MAOA (0.40) | — |
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 |