⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4207209 | 0.93 | — | — | |
| SCHEMBL4187252 | 0.88 | — | — | |
| SCHEMBL4189690 | 0.78 | CTSB (0.31) | — | |
| SCHEMBL4221020 | 0.77 | CTSB (0.33) | — | |
| SCHEMBL4180941 | 0.77 | CTSB (0.33) | — | |
| SCHEMBL4221024 | 0.77 | CTSB (0.33) | — | |
| SCHEMBL4187255 | 0.77 | CTSB (0.31) | — | |
| SCHEMBL4209333 | 0.73 | CTSB (0.46) | — | |
| SCHEMBL4209323 | 0.73 | CTSB (0.46) | — | |
| SCHEMBL4187261 | 0.72 | CTSB (0.36) | — |
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-20090047244-A1 | MACROCYCLIC SERINE PROTEASE INHIBITORS I | IDENIX PHARMACEUTICALS, INC. (US) | 2009-02-19 | — | — | US | disclosed |