⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17113757 | 1.00 | — | — | |
| SCHEMBL17113756 | 1.00 | — | — | |
| SCHEMBL18965383 | 1.00 | — | — | |
| SCHEMBL742740 | 1.00 | — | — | |
| SCHEMBL13168358 | 0.94 | — | — | |
| SCHEMBL1458596 | 0.94 | — | — | |
| SCHEMBL6247789 | 0.91 | — | — | |
| SCHEMBL6247993 | 0.85 | — | — | |
| SCHEMBL6244017 | 0.82 | — | — | |
| SCHEMBL8821825 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2027107-B1 | 2, 4 -DIAMINO PYRIMIDINES AS CELL CYCLE KINASE INHIBITORS | BOEHRINGER INGELHEIM INT (DE) | 2012-02-15 | — | — | EP | disclosed |