⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15478261 | 0.94 | CYP3A4 (0.59) | — | |
| SCHEMBL16263091 | 0.94 | CYP3A4 (0.59) | — | |
| SCHEMBL4926735 | 0.94 | CYP3A4 (0.59) | — | |
| SCHEMBL8133884 | 0.93 | — | — | |
| SCHEMBL15125423 | 0.91 | — | — | |
| SCHEMBL13757912 | 0.91 | CTSB (0.50) | — | |
| SCHEMBL3375616 | 0.91 | — | — | |
| SCHEMBL3371445 | 0.91 | CTSB (0.50) | — | |
| SCHEMBL13757913 | 0.91 | — | — | |
| SCHEMBL7936367 | 0.90 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8815796-B2 | Polyheterocyclic compounds highly potent as HCV inhibitors | AB Pharma Ltd. (CN) | 2014-08-26 | — | — | US | disclosed |
| US-8653025-B2 | Polyheterocyclic compounds highly potent as HCV inhibitors | AB Pharma Ltd. (CN) | 2014-02-18 | — | — | US | disclosed |
| US-20110183895-A1 | POLYHETEROCYCLIC COMPOUNDS HIGHLY POTENT AS HCV INHIBITORS | AB Pharma Ltd. (CN) | 2011-07-28 | — | — | US | disclosed |