⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18000834 | 0.78 | — | — | |
| SCHEMBL1463586 | 0.76 | PDE4B (0.34) | — | |
| Hydrochloric Acid SCHEMBL28425244 | 0.74 | PDE4B (0.33) | — | |
| SCHEMBL357244 | 0.72 | — | — | |
| SCHEMBL11896732 | 0.72 | — | — | |
| SCHEMBL23368111 | 0.71 | NPC1 (0.33) | — | |
| SCHEMBL25494070 | 0.71 | HSD11B1 (0.32) | — | |
| SCHEMBL31119436 | 0.70 | HSD11B1 (0.31) | — | |
| SCHEMBL20456254 | 0.70 | RECQL (0.32) | — | |
| SCHEMBL16281594 | 0.70 | TEAD1 (0.43) | — |
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 |