⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2290153 | 0.76 | — | — | |
| SCHEMBL5752166 | 0.76 | PDPK1 (0.34) | — | |
| SCHEMBL8057635 | 0.72 | MRGPRX1 (0.49) | — | |
| SCHEMBL8563387 | 0.71 | PDPK1 (0.32) | — | |
| SCHEMBL896065 | 0.70 | — | — | |
| SCHEMBL1374016 | 0.69 | — | — | |
| SCHEMBL8062090 | 0.67 | POLB (0.44) | — | |
| SCHEMBL2287334 | 0.65 | — | — | |
| SCHEMBL2067614 | 0.65 | — | — | |
| SCHEMBL16714045 | 0.63 | PIK3CA (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040023805-A1 | Substituted phenyluracils | ANDREE ROLAND (DE) | 2004-02-05 | — | — | US | disclosed |
| US-6649760-B2 | Herbicides | BAYER AKTIENGESELLSCHAFT (DE) | 2003-11-18 | — | — | US | disclosed |
| CN-1420873-A | Substituted phenyluracils | BAYER AG (DE) | 2003-05-28 | — | — | CN | disclosed |
| US-20020173425-A1 | Substituted phenyluracils | BAYER AKTIENGESELLSCHAFT (DE) | 2002-11-21 | — | — | US | disclosed |