⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8176225 | 0.93 | — | — | |
| SCHEMBL9051159 | 0.92 | — | — | |
| SCHEMBL7906302 | 0.91 | — | — | |
| SCHEMBL9429913 | 0.91 | — | — | |
| SCHEMBL7907568 | 0.88 | FFAR4 (0.31) | — | |
| SCHEMBL8180688 | 0.85 | — | — | |
| SCHEMBL9046104 | 0.85 | CYP1A1 (0.30) | — | |
| SCHEMBL7904910 | 0.85 | KAT2B (0.33) | — | |
| SCHEMBL7911504 | 0.85 | — | — | |
| SCHEMBL9430391 | 0.84 | DHODH (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-H1951-H | — | — | 2001-03-06 | — | — | US | disclosed |
| US-5308829-A | Substituted with pyrimidine ring | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1994-05-03 | — | — | US | disclosed |
| EP-0561319-A1 | Benzofuranyl substituted uracil derivatives, and their production and use as herbicides | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 1993-09-22 | — | — | EP | disclosed |