⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21094950 | 0.77 | — | — | |
| SCHEMBL798772 | 0.69 | — | — | |
| SCHEMBL19077857 | 0.64 | KDM4E (0.30) | — | |
| SCHEMBL12938149 | 0.64 | CDK1 (0.30) | — | |
| SCHEMBL2706590 | 0.62 | HRH4 (0.35) | — | |
| SCHEMBL15932002 | 0.62 | HRH4 (0.38) | — | |
| SCHEMBL798450 | 0.61 | GRM5 (0.31) | — | |
| SCHEMBL798458 | 0.61 | CHRNB2 (0.31) | — | |
| SCHEMBL12199286 | 0.59 | KDM4E (0.36) | — | |
| SCHEMBL407862 | 0.58 | PDK1 (0.38) | — |
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 |