⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3675779 | 0.74 | CYP11B1 (0.35) | — | |
| SCHEMBL22482632 | 0.73 | — | — | |
| SCHEMBL6957377 | 0.73 | — | — | |
| SCHEMBL2510512 | 0.73 | — | — | |
| SCHEMBL31027288 | 0.73 | — | — | |
| SCHEMBL166305 | 0.73 | — | — | |
| SCHEMBL8154592 | 0.73 | — | — | |
| SCHEMBL3828179 | 0.71 | HTT (0.42) | — | |
| SCHEMBL11854475 | 0.68 | CYP1A2 (0.39) | — | |
| SCHEMBL13058583 | 0.68 | CDK1 (0.40) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0964855-B1 | PROCESS FOR PREPARING SUBSTITUTED PYRIMIDINE DERIVATIVES | LONZA AG (CH) | 2001-10-17 | — | — | EP | disclosed |
| US-6114527-A | Process for preparing substituted pyrimidine derivatives | LONZA AG (CH) | 2000-09-05 | — | — | US | disclosed |
| EP-0964855-A1 | PROCESS FOR PREPARING SUBSTITUTED PYRIMIDINE DERIVATIVES | LONZA A.G. (CH) | 1999-12-22 | — | — | EP | disclosed |
| WO-1998030549-A1 | PROCESS FOR PREPARING SUBSTITUTED PYRIMIDINE DERIVATIVES | LONZA AG (CH) | 1998-07-16 | — | — | WO | disclosed |