⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9566390 | 0.77 | — | — | |
| SCHEMBL12274704 | 0.77 | — | — | |
| SCHEMBL9566469 | 0.77 | — | — | |
| SCHEMBL9566395 | 0.77 | — | — | |
| SCHEMBL3584616 | 0.77 | — | — | |
| SCHEMBL9566372 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL9566367 | 0.75 | — | — | |
| Bromide SCHEMBL9572069 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL9566502 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL9566386 | 0.75 | — | — |
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-2686320-B1 | TRICYCLIC GYRASE INHIBITORS | MERCK SHARP & DOHME (US) | 2016-05-18 | — | — | EP | disclosed |
| WO-2014043272-A1 | TRICYCLIC GYRASE INHIBITORS FOR USE AS ANTIBACTERIAL AGENTS | TRIUS THERAPEUTICS INC. (US) | 2014-03-20 | — | — | WO | disclosed |