⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17624926 | 0.73 | — | — | |
| SCHEMBL24021398 | 0.73 | — | — | |
| SCHEMBL1803101 | 0.69 | — | — | |
| SCHEMBL7262686 | 0.69 | — | — | |
| SCHEMBL8315727 | 0.67 | — | — | |
| SCHEMBL22641796 | 0.67 | — | — | |
| SCHEMBL11188601 | 0.65 | — | — | |
| SCHEMBL4368409 | 0.63 | — | — | |
| SCHEMBL25113363 | 0.63 | — | — | |
| SCHEMBL13473586 | 0.61 | — | — |
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-9732083-B2 | Tricyclic gyrase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2017-08-15 | — | — | US | disclosed |