⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5578619 | 0.74 | — | — | |
| SCHEMBL3866491 | 0.69 | CYP1A2 (0.45) | — | |
| SCHEMBL8076439 | 0.68 | NPC1 (0.43) | — | |
| SCHEMBL382679 | 0.67 | RAB9A (0.47) | — | |
| SCHEMBL3817904 | 0.67 | — | — | |
| SCHEMBL8066255 | 0.67 | RAB9A (0.44) | — | |
| SCHEMBL11600094 | 0.67 | — | — | |
| SCHEMBL2996550 | 0.67 | PDE10A (0.40) | — | |
| SCHEMBL10446539 | 0.67 | ALDH1A1 (0.32) | — | |
| SCHEMBL16046631 | 0.66 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070021330-A1 | Aza-peptide macrocyclic hepatitis c serine protease inhibitors | ENANTA PHARMACEUTICALS, INC. (US) | 2007-01-25 | — | — | US | disclosed |
| US-7125845-B2 | Aza-peptide macrocyclic hepatitis C serine protease inhibitors | ENANTA PHARMACEUTICALS, INC. (US) | 2006-10-24 | — | — | US | disclosed |
| US-20050065073-A1 | Aza-peptide macrocyclic hepatitis C serine protease inhibitors | ENANTA PHARMACEUTICALS, INC. | 2005-03-24 | — | — | US | disclosed |
| WO-2005010029-A1 | AZA-PEPTIDE MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS | ENANTA PHARMACEUTICALS, INC. (US) | 2005-02-03 | — | — | WO | disclosed |