⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1203743 | 0.75 | — | — | |
| SCHEMBL29582860 | 0.72 | CCNC (0.44) | — | |
| SCHEMBL20816227 | 0.72 | CCNC (0.44) | — | |
| SCHEMBL12957492 | 0.70 | AXL (0.55) | — | |
| SCHEMBL360577 | 0.68 | — | — | |
| SCHEMBL314379 | 0.68 | — | — | |
| SCHEMBL15501256 | 0.68 | — | — | |
| SCHEMBL627795 | 0.68 | — | — | |
| SCHEMBL9988416 | 0.68 | — | — | |
| SCHEMBL12947959 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012083105-A1 | INHIBITORS OF HEPATITIS C VIRUS POLYMERASE | COCRYSTAL DISCOVERY, INC. (US) | 2012-06-21 | — | — | WO | disclosed |