⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13087366 | 0.82 | SCN10A (0.31) | — | |
| SCHEMBL883089 | 0.77 | CHRNB2 (0.38) | — | |
| SCHEMBL15105935 | 0.77 | CHRNB2 (0.38) | — | |
| SCHEMBL882749 | 0.77 | CHRNB2 (0.38) | — | |
| SCHEMBL10177443 | 0.75 | CHRNB2 (0.39) | — | |
| SCHEMBL12682669 | 0.72 | MKNK1 (0.40) | — | |
| SCHEMBL19488471 | 0.72 | SCN10A (0.40) | — | |
| SCHEMBL1293343 | 0.71 | NR1H4 (0.44) | — | |
| SCHEMBL10234314 | 0.71 | SCN10A (0.34) | — | |
| SCHEMBL13087912 | 0.71 | SCN10A (0.34) | — |
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-2912031-B1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-05-31 | — | — | EP | disclosed |