⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13183626 | 0.83 | PNMT (0.43) | — | |
| SCHEMBL13255909 | 0.80 | — | — | |
| SCHEMBL13183563 | 0.78 | — | — | |
| SCHEMBL18499869 | 0.69 | PNMT (0.39) | — | |
| SCHEMBL13255933 | 0.67 | — | — | |
| SCHEMBL13255907 | 0.66 | — | — | |
| SCHEMBL8156078 | 0.65 | CA1 (0.37) | — | |
| SCHEMBL17277717 | 0.62 | PNMT (0.44) | — | |
| SCHEMBL13183638 | 0.61 | CHRNA7 (0.33) | — | |
| SCHEMBL15045453 | 0.61 | CYP2A6 (0.41) | — |
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-2010096462-A1 | LINKED DIIMIDAZOLE DERIVATIVES | ENANTA PHARMACEUTICALS, INC (US) | 2010-08-26 | — | — | WO | disclosed |