⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14551149 | 0.76 | KDM4E (0.32) | — | |
| SCHEMBL11911012 | 0.76 | KDM4E (0.32) | — | |
| SCHEMBL11911010 | 0.76 | KDM4E (0.32) | — | |
| SCHEMBL23985314 | 0.76 | PYGL (0.35) | — | |
| SCHEMBL17428584 | 0.75 | MMP2 (0.30) | — | |
| SCHEMBL29951534 | 0.75 | MMP2 (0.30) | — | |
| SCHEMBL11912018 | 0.73 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL18467478 | 0.73 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL11912000 | 0.73 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL14658722 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2912031-B1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-05-31 | — | — | EP | disclosed |
| EP-2499132-B1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-02-15 | — | — | EP | disclosed |