⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3466811 | 0.75 | — | — | |
| SCHEMBL3158477 | 0.73 | — | — | |
| SCHEMBL1680441 | 0.73 | TNFRSF1A (0.38) | — | |
| SCHEMBL28825581 | 0.72 | — | — | |
| SCHEMBL13321983 | 0.70 | RAB9A (0.42) | — | |
| SCHEMBL11483527 | 0.70 | RAB9A (0.39) | — | |
| SCHEMBL147222 | 0.69 | — | — | |
| SCHEMBL4486603 | 0.69 | GLA (0.44) | — | |
| SCHEMBL4486601 | 0.69 | GLA (0.44) | — | |
| SCHEMBL9530279 | 0.69 | ALDH1A1 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101115749-B | Aminopyrimidine compounds and methods of use | AMGEN INC | 2011-06-22 | — | — | CN | disclosed |
| CN-101115749-A | Aminopyrimidine compounds and methods of use | AMGEN INC (US) | 2008-01-30 | — | — | CN | disclosed |