⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9641187 | 0.78 | — | — | |
| SCHEMBL8172866 | 0.77 | — | — | |
| SCHEMBL8174275 | 0.65 | — | — | |
| SCHEMBL8182962 | 0.64 | — | — | |
| SCHEMBL16011652 | 0.63 | — | — | |
| SCHEMBL6245375 | 0.63 | — | — | |
| SCHEMBL3287043 | 0.62 | — | — | |
| SCHEMBL8189724 | 0.60 | KDM4E (0.34) | — | |
| SCHEMBL499169 | 0.58 | PDE4A (0.44) | — | |
| SCHEMBL9429348 | 0.54 | GSK3B (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-6087493-A | ENZYME IHIBITORS | REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) | 2000-07-11 | — | — | US | disclosed |