⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16409190 | 0.77 | — | — | |
| SCHEMBL255394 | 0.76 | PPM1B (0.47) | — | |
| SCHEMBL29939170 | 0.74 | — | — | |
| SCHEMBL8763778 | 0.74 | — | — | |
| SCHEMBL8473651 | 0.74 | — | — | |
| SCHEMBL29938649 | 0.72 | — | — | |
| SCHEMBL29938575 | 0.72 | — | — | |
| SCHEMBL29939189 | 0.72 | — | — | |
| SCHEMBL3465102 | 0.72 | — | — | |
| SCHEMBL16407775 | 0.72 | — | — |
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-2015005901-A1 | COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-01-15 | — | — | WO | disclosed |