⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3967332 | 0.70 | LCK (0.55) | — | |
| SCHEMBL7847396 | 0.55 | ABL1 (0.39) | — | |
| SCHEMBL3975918 | 0.55 | MAPK14 (0.53) | — | |
| SCHEMBL4903451 | 0.52 | ALDH1A1 (0.53) | — | |
| SCHEMBL14797924 | 0.52 | KDM4E (0.43) | — | |
| SCHEMBL4909459 | 0.51 | ALDH1A1 (0.40) | — | |
| SCHEMBL14798226 | 0.51 | HTR2A (0.44) | — | |
| SCHEMBL3807362 | 0.51 | CXCL8 (0.62) | — | |
| SCHEMBL22322971 | 0.51 | HTR2A (0.59) | — | |
| SCHEMBL10255544 | 0.51 | ALOX5 (0.49) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1080092-A2 | BICYCLIC PYRIMIDINES AND BICYCLIC 3,4-DIHYDROPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION | WARNER-LAMBERT COMPANY (US) | 2001-03-07 | — | — | EP | claimed |
| WO-1999061444-A2 | BICYCLIC PYRIMIDINES AND BICYCLIC 3,4-DIHYDROPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION | WARNER-LAMBERT COMPANY (US) | 1999-12-02 | — | — | WO | claimed |