⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11050871 | 0.80 | — | — | |
| SCHEMBL175854 | 0.75 | — | — | |
| SCHEMBL253162 | 0.75 | — | — | |
| SCHEMBL9289418 | 0.74 | — | — | |
| SCHEMBL4439610 | 0.73 | — | — | |
| SCHEMBL4360937 | 0.73 | — | — | |
| SCHEMBL5575427 | 0.70 | CA2 (0.31) | — | |
| SCHEMBL709424 | 0.70 | — | — | |
| SCHEMBL15671389 | 0.70 | — | — | |
| SCHEMBL11216157 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012000922-A2 | New Use | NOVARTIS AG (CH) | 2012-01-05 | — | — | WO | disclosed |
| EP-2091924-B1 | PYRIMIDINE DERIVATIVES AND THEIR USE AS PESTICIDES | NOVARTIS AG (CH) | 2011-06-22 | — | — | EP | disclosed |
| EP-2091924-A1 | PYRIMIDINE DERIVATIVES AND THEIR USE AS PESTICIDES | Novartis AG (CH) | 2009-08-26 | — | — | EP | disclosed |
| WO-2009071500-A2 | ORGANIC COMPOUNDS | NOVARTIS AG (CH) | 2009-06-11 | — | — | WO | disclosed |
| WO-2008009691-A1 | PYRIMIDINE DERIVATIVES AND THEIR USE AS PESTICIDES | NOVARTIS AG (CH) | 2008-01-24 | — | — | WO | disclosed |