⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29902244 | 1.00 | — | — | |
| SCHEMBL17157123 | 0.97 | — | — | |
| SCHEMBL15924521 | 0.91 | — | — | |
| SCHEMBL18568275 | 0.88 | TACR1 (0.41) | — | |
| SCHEMBL8639686 | 0.86 | — | — | |
| SCHEMBL2894585 | 0.86 | — | — | |
| SCHEMBL18561055 | 0.86 | — | — | |
| SCHEMBL17157174 | 0.85 | — | — | |
| SCHEMBL17171331 | 0.85 | — | — | |
| SCHEMBL19645062 | 0.85 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3019196-B1 | COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2018-06-06 | — | — | EP | disclosed |
| EP-2802326-B1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2018-04-18 | — | — | EP | disclosed |