⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9340893 | 0.90 | OPRM1 (0.44) | — | |
| SCHEMBL6688967 | 0.82 | — | — | |
| SCHEMBL31549909 | 0.78 | DNM1 (0.38) | — | |
| SCHEMBL11422098 | 0.78 | — | — | |
| SCHEMBL27843711 | 0.77 | DNM1 (0.41) | — | |
| SCHEMBL635647 | 0.77 | DNM1 (0.41) | — | |
| SCHEMBL10339821 | 0.76 | — | — | |
| SCHEMBL13864439 | 0.74 | — | — | |
| SCHEMBL2778416 | 0.74 | — | — | |
| SCHEMBL2778414 | 0.72 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004007467-A1 | NOVEL 3-(3-[AMINOSULFONYLAMINO]-4-CYANO-PHENYL)-6-TRIFLUOROMETHYL-URACILS | BASF AKTIENGESELLSCHAFT (DE) | 2004-01-22 | — | — | WO | disclosed |