⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18244892 | 0.83 | TSHR (0.41) | — | |
| SCHEMBL317152 | 0.79 | — | — | |
| SCHEMBL5951188 | 0.71 | MEN1 (0.33) | — | |
| SCHEMBL197196 | 0.67 | PCSK9 (0.60) | — | |
| SCHEMBL143814 | 0.65 | — | — | |
| SCHEMBL6769007 | 0.63 | — | — | |
| SCHEMBL3766047 | 0.63 | — | — | |
| SCHEMBL2971700 | 0.63 | — | — | |
| SCHEMBL15272985 | 0.63 | — | — | |
| SCHEMBL2998543 | 0.63 | — | — |
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 |