⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12951613 | 0.78 | SMN1; SMN2 (0.50) | — | |
| SCHEMBL7920432 | 0.78 | SMN1; SMN2 (0.50) | — | |
| SCHEMBL9751358 | 0.77 | SLC1A3 (0.40) | — | |
| SCHEMBL466551 | 0.74 | — | — | |
| SCHEMBL13611203 | 0.74 | — | — | |
| SCHEMBL15116682 | 0.74 | — | — | |
| SCHEMBL15114574 | 0.74 | — | — | |
| SCHEMBL1085084 | 0.74 | — | — | |
| SCHEMBL26222661 | 0.74 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL26222755 | 0.73 | SMN1; SMN2 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015005901-A1 | COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-01-15 | — | — | WO | disclosed |
| WO-2013106520-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-07-18 | — | — | WO | disclosed |