⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7096985 | 0.92 | CACNA1F (0.30) | — | |
| SCHEMBL7095159 | 0.92 | KCNH2 (0.30) | — | |
| SCHEMBL7097010 | 0.91 | — | — | |
| SCHEMBL7092991 | 0.91 | — | — | |
| SCHEMBL7097169 | 0.89 | — | — | |
| SCHEMBL6674683 | 0.88 | KCNH2 (0.31) | — | |
| SCHEMBL7096483 | 0.85 | CACNA1F (0.31) | — | |
| SCHEMBL7092936 | 0.85 | KCNH2 (0.31) | — | |
| SCHEMBL7093688 | 0.85 | KCNH2 (0.30) | — | |
| SCHEMBL7093335 | 0.85 | KCNH2 (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 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 |