⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13102076 | 0.83 | GABRA1 (0.39) | — | |
| SCHEMBL19557234 | 0.78 | GABRA1 (0.30) | — | |
| SCHEMBL18098016 | 0.76 | — | — | |
| SCHEMBL13295203 | 0.70 | — | — | |
| SCHEMBL22493427 | 0.70 | — | — | |
| SCHEMBL14287970 | 0.69 | — | — | |
| SCHEMBL17264265 | 0.61 | GABRA5 (0.45) | — | |
| SCHEMBL13102074 | 0.59 | GABRA1 (0.40) | — | |
| SCHEMBL5518885 | 0.57 | — | — | |
| SCHEMBL18675959 | 0.53 | NOS3 (0.32) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9862729-B2 | Broad spectrum beta-lactamase inhibitors | GLADIUS PHARMACEUTICALS CORPORATION (CA) | 2018-01-09 | — | — | US | disclosed |
| US-9809605-B1 | Broad spectrum beta-lactamase inhibitors | GLADIUS PHARMACEUTICALS CORPORATION (CA) | 2017-11-07 | — | — | US | disclosed |
| US-20160362422-A1 | BROAD SPECTRUM BETA-LACTAMASE INHIBITORS | GLADIUS PHARMACEUTICALS CORPORATION (CA) | 2016-12-15 | — | — | US | disclosed |
| US-9453032-B2 | Broad spectrum beta-lactamase inhibitors | GLADIUS PHARMACEUTICALS CORPORATION (CA) | 2016-09-27 | — | — | US | disclosed |