⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4674270 | 0.78 | — | — | |
| SCHEMBL728235 | 0.78 | — | — | |
| SCHEMBL1477379 | 0.78 | — | — | |
| SCHEMBL6094248 | 0.75 | — | — | |
| SCHEMBL21613308 | 0.75 | — | — | |
| SCHEMBL9066906 | 0.71 | — | — | |
| SCHEMBL9066909 | 0.71 | — | — | |
| SCHEMBL500207 | 0.69 | — | — | |
| SCHEMBL8802845 | 0.68 | APLNR (0.32) | — | |
| SCHEMBL22249365 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014043272-A1 | TRICYCLIC GYRASE INHIBITORS FOR USE AS ANTIBACTERIAL AGENTS | TRIUS THERAPEUTICS INC. (US) | 2014-03-20 | — | — | WO | disclosed |