⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3940534 | 0.68 | — | — | |
| SCHEMBL27502657 | 0.67 | — | — | |
| SCHEMBL1007 | 0.67 | — | — | |
| SCHEMBL2802029 | 0.67 | — | — | |
| SCHEMBL1681777 | 0.67 | — | — | |
| SCHEMBL2279469 | 0.67 | — | — | |
| SCHEMBL1431301 | 0.64 | — | — | |
| SCHEMBL15114437 | 0.64 | — | — | |
| SCHEMBL192079 | 0.64 | — | — | |
| Trifluoroacetic Acid SCHEMBL9228519 | 0.64 | CA2 (0.46) | — |
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 5 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 |
| EP-2049498-A1 | PYRIMIDINE COMPOUNDS FOR COMBATING PATHOGENIC FUNGI AND CANCER | BASF SE (DE) | 2009-04-22 | — | — | EP | disclosed |
| WO-2008107398-A2 | PYRAZINE COMPOUNDS | BASF SE (DE) | 2008-09-12 | — | — | WO | disclosed |
| WO-2008015250-A1 | PYRIMIDINE COMPOUNDS FOR COMBATING PATHOGENIC FUNGI AND CANCER | BASF SE (DE) | 2008-02-07 | — | — | WO | disclosed |
| WO-2007147829-A1 | AZOLOPYRIMIDINE COMPOUNDS AND THEIR USE FOR CONTROLLING HARMFUL FUNGI | BASF SE (DE) | 2007-12-27 | — | — | WO | disclosed |