⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8551841 | 0.83 | ALDH1A1 (0.33) | — | |
| SCHEMBL7816577 | 0.71 | — | — | |
| SCHEMBL10696215 | 0.62 | HSP90AA1 (0.43) | — | |
| SCHEMBL8924655 | 0.62 | MKNK1 (0.39) | — | |
| SCHEMBL8525560 | 0.57 | ALDH1A1 (0.50) | — | |
| SCHEMBL9427475 | 0.57 | BCAT1 (0.41) | — | |
| SCHEMBL8820735 | 0.57 | ALDH1A1 (0.43) | — | |
| SCHEMBL9237639 | 0.57 | MAOB (0.44) | — | |
| SCHEMBL9186504 | 0.56 | BCAT1 (0.57) | — | |
| SCHEMBL8818440 | 0.55 | BCAT1 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0815106-A1 | 3-ARYLURACILS AND INTERMEDIATES FOR THEIR PREPARATION | BASF AKTIENGESELLSCHAFT (DE) | 1998-01-07 | — | — | EP | disclosed |