⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13221470 | 0.91 | SCN10A (0.32) | — | |
| SCHEMBL10201773 | 0.91 | SCN10A (0.32) | — | |
| SCHEMBL19488811 | 0.91 | SCN10A (0.32) | — | |
| SCHEMBL12404446 | 0.80 | AAK1 (0.38) | — | |
| SCHEMBL12406137 | 0.79 | — | — | |
| SCHEMBL13087531 | 0.77 | — | — | |
| SCHEMBL19488813 | 0.76 | — | — | |
| SCHEMBL19488809 | 0.75 | — | — | |
| SCHEMBL10201775 | 0.74 | SCN10A (0.52) | — | |
| SCHEMBL19488795 | 0.73 | SCN10A (0.45) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2601188-B1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-10-18 | — | — | EP | disclosed |