⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6550282 | 1.00 | — | — | |
| SCHEMBL19251131 | 1.00 | — | — | |
| SCHEMBL3025764 | 0.58 | — | — | |
| SCHEMBL5939693 | 0.58 | — | — | |
| SCHEMBL13217963 | 0.58 | — | — | |
| SCHEMBL4619683 | 0.55 | BACE1 (0.38) | — | |
| SCHEMBL11779069 | 0.54 | — | — | |
| SCHEMBL9526176 | 0.53 | ALDH1A1 (0.46) | — | |
| SCHEMBL14338303 | 0.52 | — | — | |
| SCHEMBL1628604 | 0.52 | — | — |
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 |