⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8009642 | 0.95 | SHBG (0.37) | — | |
| SCHEMBL6303771 | 0.93 | SHBG (0.41) | — | |
| SCHEMBL15247309 | 0.90 | — | — | |
| SCHEMBL15474108 | 0.90 | — | — | |
| SCHEMBL15659845 | 0.85 | — | — | |
| SCHEMBL3226263 | 0.83 | TRPA1 (0.31) | — | |
| SCHEMBL3233522 | 0.81 | SHBG (0.34) | — | |
| SCHEMBL5271101 | 0.81 | TRPA1 (0.30) | — | |
| SCHEMBL149436 | 0.79 | CPN1 (0.37) | — | |
| SCHEMBL149437 | 0.79 | CPN1 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0971904-A1 | NOVEL 1-AMINO-3 BENZYL URACILS | BASF AKTIENGESELLSCHAFT (DE) | 2000-01-19 | — | — | EP | disclosed |
| WO-1998042682-A1 | NOVEL 1-AMINO-3 BENZYL URACILS | BASF AKTIENGESELLSCHAFT (DE) | 1998-10-01 | — | — | WO | disclosed |