⚠ 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 | |
|---|---|---|---|---|
| Cyclopentane SCHEMBL1050729 | 1.00 | — | — | |
| SCHEMBL102156 | 0.87 | — | — | |
| Methane SCHEMBL204080 | 0.82 | — | — | |
| SCHEMBL28559195 | 0.82 | — | — | |
| Chloromethane SCHEMBL1814391 | 0.78 | — | — | |
| Ethane SCHEMBL108080 | 0.78 | — | — | |
| Ethylene SCHEMBL6849353 | 0.78 | — | — | |
| Cyclohexanol SCHEMBL7215380 | 0.78 | TSHR (0.50) | — | |
| Tetrahydrofuran SCHEMBL5320438 | 0.77 | — | — | |
| Cyclopentene SCHEMBL5320410 | 0.77 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008021733-A2 | TETRAZOLYL ACYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS | ENANTA PHARMACEUTICALS, INC. (US) | 2008-02-21 | — | — | WO | disclosed |
| WO-2008019303-A2 | PYRIDAZINONYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS | ENANTA PHARMACEUTICALS, INC. (US) | 2008-02-14 | — | — | WO | disclosed |
| WO-2007146695-A1 | ACYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS | ENANTA PHARMACEUTICALS, INC. (US) | 2007-12-21 | — | — | WO | disclosed |