⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22778678 | 0.92 | EPHX1 (0.30) | — | |
| SCHEMBL18687268 | 0.85 | — | — | |
| SCHEMBL20066471 | 0.81 | PDPK1 (0.30) | — | |
| SCHEMBL84138 | 0.77 | PDPK1 (0.37) | — | |
| SCHEMBL19840167 | 0.74 | PDPK1 (0.32) | — | |
| SCHEMBL22752173 | 0.73 | — | — | |
| SCHEMBL10290324 | 0.71 | KCNH2 (0.36) | — | |
| SCHEMBL28794878 | 0.71 | PARP1 (0.47) | — | |
| SCHEMBL22778665 | 0.71 | GRM5 (0.38) | — | |
| SCHEMBL18924518 | 0.70 | PDPK1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10858360-B2 | Tricyclic gyrase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2020-12-08 | — | — | US | disclosed |
| US-9732083-B2 | Tricyclic gyrase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2017-08-15 | — | — | US | disclosed |