⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1570075 | 1.00 | — | — | |
| SCHEMBL3321855 | 1.00 | — | — | |
| SCHEMBL20508352 | 0.82 | — | — | |
| SCHEMBL20508353 | 0.82 | — | — | |
| SCHEMBL4093231 | 0.77 | — | — | |
| SCHEMBL10723942 | 0.73 | — | — | |
| SCHEMBL77706 | 0.73 | — | — | |
| SCHEMBL1064989 | 0.73 | — | — | |
| SCHEMBL21840885 | 0.71 | — | — | |
| SCHEMBL8708711 | 0.71 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100216767-A1 | QUINAZOLINES FOR PDK1 INHIBITION | AIKAWA MINA | 2010-08-26 | — | — | US | disclosed |
| US-20100121052-A1 | Novel compounds for treating proliferative diseases | JAIN RAMA | 2010-05-13 | — | — | US | disclosed |