⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3944983 | 1.00 | — | — | |
| SCHEMBL19338279 | 0.77 | — | — | |
| SCHEMBL26033163 | 0.76 | — | — | |
| SCHEMBL21781829 | 0.76 | — | — | |
| SCHEMBL19122164 | 0.76 | — | — | |
| SCHEMBL15692447 | 0.76 | — | — | |
| SCHEMBL6630851 | 0.76 | — | — | |
| SCHEMBL15692444 | 0.76 | — | — | |
| SCHEMBL7731009 | 0.76 | — | — | |
| SCHEMBL18380917 | 0.75 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090264447-A1 | Pyrimidine compounds for combating pathogenic fungi and cancer | BASF SE (DE) | 2009-10-22 | — | — | US | disclosed |
| WO-2009019099-A1 | TETRASUBSTITUTED PYRIMIDINE DERIVATIVES FOR CONTROLLING PHYTOPATHOGENIC FUNGI | BASF SE (DE) | 2009-02-12 | — | — | WO | disclosed |
| WO-2008107398-A2 | PYRAZINE COMPOUNDS | BASF SE (DE) | 2008-09-12 | — | — | WO | disclosed |