⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19503250 | 1.00 | — | — | |
| Calcium SCHEMBL30688227 | 0.94 | — | — | |
| SCHEMBL23997459 | 0.84 | — | — | |
| SCHEMBL22428783 | 0.77 | — | — | |
| SCHEMBL19190540 | 0.75 | — | — | |
| SCHEMBL9887537 | 0.73 | — | — | |
| SCHEMBL5216645 | 0.73 | — | — | |
| SCHEMBL21789568 | 0.73 | — | — | |
| SCHEMBL8032491 | 0.73 | — | — | |
| SCHEMBL400439 | 0.73 | — | — |
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-3232485-A1 | BENZIMIDAZO[1,2-A]BENZIMIDAZOLE DERIVATIVES FOR ELECTRONIC APPLICATIONS | UDC Ireland Limited (IE) | 2017-10-18 | — | — | EP | disclosed |
| WO-2014043272-A1 | TRICYCLIC GYRASE INHIBITORS FOR USE AS ANTIBACTERIAL AGENTS | TRIUS THERAPEUTICS INC. (US) | 2014-03-20 | — | — | WO | disclosed |