⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13087621 | 0.92 | — | — | |
| SCHEMBL10201772 | 0.87 | SCN10A (0.32) | — | |
| SCHEMBL13221474 | 0.87 | SCN10A (0.32) | — | |
| SCHEMBL10200241 | 0.83 | TYMS (0.33) | — | |
| SCHEMBL12373600 | 0.83 | TYMS (0.33) | — | |
| SCHEMBL13221478 | 0.80 | — | — | |
| SCHEMBL16229728 | 0.80 | — | — | |
| SCHEMBL14641545 | 0.80 | — | — | |
| SCHEMBL12328181 | 0.79 | AAK1 (0.32) | — | |
| SCHEMBL13087671 | 0.78 | CDC7 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012039717-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-03-29 | — | — | WO | disclosed |