⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17682466 | 1.00 | — | — | |
| SCHEMBL20073217 | 1.00 | — | — | |
| SCHEMBL20927161 | 1.00 | — | — | |
| SCHEMBL23637868 | 0.83 | CHRNB2 (0.49) | — | |
| SCHEMBL12073644 | 0.79 | — | — | |
| SCHEMBL23638026 | 0.77 | ALDH1A1 (0.34) | — | |
| SCHEMBL13544590 | 0.76 | POLB (0.42) | — | |
| SCHEMBL13185432 | 0.76 | TLR2 (0.36) | — | |
| SCHEMBL14470105 | 0.76 | TLR2 (0.36) | — | |
| SCHEMBL13185468 | 0.76 | POLB (0.37) | — |
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-2011046970-A1 | AMINO - PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBKL AND/OR IKK EPSILON | MYREXIS, INC. (US) | 2011-04-21 | — | — | WO | disclosed |