⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19756472 | 1.00 | — | — | |
| SCHEMBL14252348 | 1.00 | — | — | |
| SCHEMBL22148185 | 0.80 | CYP2D6 (0.33) | — | |
| SCHEMBL19766504 | 0.78 | — | — | |
| SCHEMBL24952437 | 0.76 | — | — | |
| SCHEMBL20340788 | 0.76 | — | — | |
| SCHEMBL17827386 | 0.76 | — | — | |
| SCHEMBL22017693 | 0.76 | — | — | |
| SCHEMBL2737398 | 0.76 | — | — | |
| SCHEMBL19251915 | 0.76 | — | — |
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-20170369498-A1 | TRICYCLIC GYRASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2017-12-28 | — | — | US | disclosed |