⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3630449 | 0.61 | — | — | |
| SCHEMBL16901686 | 0.61 | — | — | |
| SCHEMBL15914282 | 0.61 | GSK3A (0.42) | — | |
| SCHEMBL18290453 | 0.58 | — | — | |
| SCHEMBL14725548 | 0.57 | PTPN1 (0.30) | — | |
| SCHEMBL13315856 | 0.52 | PTPRC (0.32) | — | |
| SCHEMBL3884533 | 0.52 | — | — | |
| SCHEMBL2059657 | 0.52 | — | — | |
| SCHEMBL14591138 | 0.50 | — | — | |
| SCHEMBL3096575 | 0.48 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6867200-B1 | (Hetero)aryl-bicyclic heteroaryl derivatives, their preparation and their use as protease inhibitors | AXYS PHARMACEUTICALS, INC. (US) | 2005-03-15 | — | — | US | disclosed |
| US-20030225036-A1 | Non-amidine containing protease inhibitors | AXYS PHARMACEUTICALS, INC. | 2003-12-04 | — | — | US | disclosed |