⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17253532 | 1.00 | — | — | |
| SCHEMBL19414824 | 0.93 | PYGL (0.31) | — | |
| SCHEMBL1293846 | 0.92 | PYGL (0.32) | — | |
| SCHEMBL1293849 | 0.92 | PYGL (0.32) | — | |
| SCHEMBL19414839 | 0.89 | — | — | |
| SCHEMBL19702291 | 0.88 | — | — | |
| SCHEMBL12120058 | 0.88 | — | — | |
| SCHEMBL1293917 | 0.88 | — | — | |
| SCHEMBL19414640 | 0.87 | — | — | |
| SCHEMBL19702067 | 0.86 | PYGL (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20170355689-A1 | HEPATITIS C VIRUS INHIBITOR | BRISTOL MYERS SQUIBB CO (US) | 2017-12-14 | — | — | US | disclosed |