⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6718305 | 0.78 | LMNA (0.31) | — | |
| SCHEMBL10252220 | 0.77 | TDP1 (0.35) | — | |
| SCHEMBL23998125 | 0.75 | KDM4E (0.32) | — | |
| SCHEMBL30322462 | 0.75 | KDM4E (0.32) | — | |
| SCHEMBL31290586 | 0.75 | ENPP1 (0.38) | — | |
| SCHEMBL6244063 | 0.75 | CYP1A2 (0.39) | — | |
| SCHEMBL6241392 | 0.72 | MEN1 (0.34) | — | |
| SCHEMBL15985987 | 0.72 | SMN1; SMN2 (0.46) | — | |
| SCHEMBL6240122 | 0.71 | — | — | |
| SCHEMBL27296009 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005019207-A1 | FUNGICIDAL PYRIMIDINE DERIVATIVES | NIPPON SODA CO. LTD. (JP) | 2005-03-03 | — | — | WO | disclosed |
| US-20050038041-A1 | Fungicidal pyrimidine derivatives | NIPPON SODA CO., LTD. (JP) | 2005-02-17 | — | — | US | disclosed |
| US-6818631-B1 | 4-FLUOROALKYL SUBSTITUENT; AGRICULTURE, HORTICULTURE; PLANT DISEASE CONTROL | NIPPON SODA CO. LTD. (JP) | 2004-11-16 | — | — | US | disclosed |