⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31266330 | 0.69 | — | — | |
| SCHEMBL670761 | 0.69 | — | — | |
| SCHEMBL4486839 | 0.54 | — | — | |
| SCHEMBL16499900 | 0.54 | — | — | |
| SCHEMBL4319030 | 0.51 | TDP1 (0.39) | — | |
| SCHEMBL7091139 | 0.51 | — | — | |
| SCHEMBL5904396 | 0.51 | — | — | |
| SCHEMBL10404 | 0.51 | — | — | |
| SCHEMBL1937 | 0.51 | — | — | |
| SCHEMBL4897553 | 0.48 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9963451-B2 | Fused ring pyrimidine compound and pest control agent containing the same | MITSUI CHEMICALS AGRO, INC. (JP) | 2018-05-08 | — | — | US | disclosed |
| US-20150368249-A1 | FUSED RING PYRIMIDINE COMPOUND AND PEST CONTROL AGENT CONTAINING THE SAME | MITSUI CHEMICALS CROP & LIFE SOLUTIONS, INC. (JP) | 2015-12-24 | — | — | US | disclosed |