⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6670374 | 0.90 | — | — | |
| SCHEMBL7096886 | 0.90 | — | — | |
| SCHEMBL6671921 | 0.90 | — | — | |
| SCHEMBL7094418 | 0.89 | CACNA1F (0.31) | — | |
| SCHEMBL6673275 | 0.89 | — | — | |
| SCHEMBL7094433 | 0.88 | — | — | |
| SCHEMBL6671384 | 0.86 | — | — | |
| SCHEMBL7093288 | 0.84 | — | — | |
| SCHEMBL6671906 | 0.80 | — | — | |
| SCHEMBL6670408 | 0.80 | KCNH2 (0.33) | — |
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-20030114666-A1 | Having quinazolindione core structure; non-antibiotic resistance | WARNER-LAMBERT COMPANY | 2003-06-19 | — | — | US | claimed |