⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8005334 | 0.94 | CTSB (0.32) | — | |
| SCHEMBL12356928 | 0.94 | CTSB (0.32) | — | |
| SCHEMBL8004477 | 0.92 | CTSB (0.32) | — | |
| SCHEMBL313700 | 0.92 | CTSB (0.32) | — | |
| SCHEMBL10247227 | 0.89 | UCHL1 (0.36) | — | |
| SCHEMBL313402 | 0.85 | CTSS (0.34) | — | |
| SCHEMBL10247253 | 0.84 | UCHL1 (0.36) | — | |
| SCHEMBL12369706 | 0.84 | CTSS (0.32) | — | |
| SCHEMBL8002444 | 0.84 | UCHL1 (0.36) | — | |
| SCHEMBL15216085 | 0.84 | UCHL1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8093379-B2 | Macrocyclic serine protease inhibitors | IDENIX PHARMACEUTICALS, INC. (US) | 2012-01-10 | — | — | US | disclosed |
| US-20100016578-A1 | MACROCYCLIC SERINE PROTEASE INHIBITORS | IDENIX PHARMACEUTICALS, INC. (US) | 2010-01-21 | — | — | US | disclosed |