⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL804960 | 0.71 | — | — | |
| SCHEMBL255399 | 0.64 | GAA (0.35) | — | |
| SCHEMBL24879794 | 0.62 | TSHR (0.31) | — | |
| SCHEMBL2667272 | 0.61 | PDE10A (0.42) | — | |
| SCHEMBL30727901 | 0.61 | DRD4 (0.31) | — | |
| SCHEMBL255118 | 0.60 | RIPK1 (0.34) | — | |
| SCHEMBL16327973 | 0.60 | KDM4E (0.32) | — | |
| SCHEMBL16455144 | 0.60 | CYP1A2 (0.32) | — | |
| SCHEMBL254839 | 0.60 | LRRK2 (0.39) | — | |
| SCHEMBL16455022 | 0.60 | LMNA (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 |
|---|---|---|---|---|---|---|---|
| US-20120071475-A1 | UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2012-03-22 | — | — | US | disclosed |