⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1224399 | 0.84 | ALOX15 (0.34) | — | |
| SCHEMBL1224326 | 0.84 | ALOX15 (0.34) | — | |
| SCHEMBL1224327 | 0.84 | ALOX15 (0.34) | — | |
| SCHEMBL14724311 | 0.78 | — | — | |
| SCHEMBL17012041 | 0.66 | CYP1A2 (0.39) | — | |
| SCHEMBL13529680 | 0.65 | SMN1; SMN2 (0.40) | — | |
| SCHEMBL11184999 | 0.63 | L3MBTL1 (0.35) | — | |
| SCHEMBL3173760 | 0.63 | KDM4E (0.35) | — | |
| SCHEMBL3173756 | 0.63 | KDM4E (0.35) | — | |
| SCHEMBL16286354 | 0.62 | ALOX15 (0.33) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9204653-B2 | 5-fluoro pyrimidine derivatives | DOW AGROSCIENCES LLC (US) | 2015-12-08 | — | — | US | disclosed |
| US-9204653-B2 | 5-fluoro pyrimidine derivatives | DOW AGROSCIENCES LLC (US) | 2015-12-08 | — | — | US | disclosed |
| US-20140024616-A1 | 5-FLUORO PYRIMIDINE DERIVATIVES | DOW AGROSCIENCES LLC (US) | 2014-01-23 | — | — | US | disclosed |
| US-20140024616-A1 | 5-FLUORO PYRIMIDINE DERIVATIVES | DOW AGROSCIENCES LLC (US) | 2014-01-23 | — | — | US | disclosed |
| US-20100022538-A1 | 5-FLUORO PYRIMIDINE DERIVATIVES | DOW AGROSCIENCES LLC (US) | 2010-01-28 | — | — | US | disclosed |
| US-20100022538-A1 | 5-FLUORO PYRIMIDINE DERIVATIVES | DOW AGROSCIENCES LLC (US) | 2010-01-28 | — | — | US | disclosed |