⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7010710 | 0.75 | ALDH1A1 (0.36) | — | |
| SCHEMBL12159414 | 0.72 | NQO2 (0.38) | — | |
| SCHEMBL3340131 | 0.71 | — | — | |
| SCHEMBL7010337 | 0.69 | — | — | |
| SCHEMBL317298 | 0.67 | RAPGEF4 (0.33) | — | |
| SCHEMBL6480195 | 0.67 | — | — | |
| SCHEMBL13147999 | 0.65 | RAPGEF4 (0.41) | — | |
| SCHEMBL457475 | 0.65 | — | — | |
| SCHEMBL1637718 | 0.65 | — | — | |
| SCHEMBL8354359 | 0.64 | NMT1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6903213-B2 | HIV inhibiting pyrimidine derivatives | ANDRIES KOENRAAD JOZEF LODEWIJ (BE) | 2005-06-07 | — | — | US | disclosed |