⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1935029 | 0.92 | LMNA (0.36) | — | |
| SCHEMBL14563626 | 0.85 | PTGS2 (0.32) | — | |
| SCHEMBL9911857 | 0.85 | FYN (0.33) | — | |
| SCHEMBL12164414 | 0.84 | LMNA (0.36) | — | |
| SCHEMBL1936689 | 0.83 | LMNA (0.33) | — | |
| SCHEMBL9911850 | 0.81 | KEAP1 (0.34) | — | |
| SCHEMBL9911854 | 0.81 | LMNA (0.31) | — | |
| SCHEMBL17530722 | 0.80 | BRAF (0.37) | — | |
| SCHEMBL9911851 | 0.78 | MAPT (0.32) | — | |
| SCHEMBL1935490 | 0.78 | CA12 (0.38) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2331502-B1 | COMPOUNDS FOR THE TREATMENT OF HEPATITIS C | BRISTOL MYERS SQUIBB CO (US) | 2016-03-02 | — | — | EP | disclosed |
| EP-2545050-A1 | COMPOUNDS FOR THE TREATMENT OF HEPATITIS C | Bristol-Myers Squibb Company (US) | 2013-01-16 | — | — | EP | disclosed |
| WO-2010030538-A2 | COMPOUNDS FOR THE TREATMENT OF HEPATITIS C | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-03-18 | — | — | WO | disclosed |