⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1948472 | 0.78 | — | — | |
| SCHEMBL28185278 | 0.76 | — | — | |
| SCHEMBL210782 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL28185279 | 0.76 | — | — | |
| SCHEMBL28263515 | 0.74 | — | — | |
| SCHEMBL25060915 | 0.73 | — | — | |
| SCHEMBL13446570 | 0.71 | — | — | |
| SCHEMBL30568662 | 0.71 | — | — | |
| SCHEMBL26605393 | 0.71 | — | — | |
| Trifluoroacetic Acid SCHEMBL23457501 | 0.69 | HCAR2 (0.35) | — |
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-20080051401-A1 | 2,4,6-Trisubstituted Pyrimidines as Phosphotidylinositol (Pi) 3-Kinase Inhibitors and Their Use in the Treatment of Cancer | PASS MARTIN | 2008-02-28 | — | — | US | disclosed |