⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17348570 | 0.95 | — | — | |
| SCHEMBL22813394 | 0.91 | — | — | |
| SCHEMBL26519682 | 0.91 | — | — | |
| SCHEMBL16659516 | 0.87 | — | — | |
| SCHEMBL16659517 | 0.84 | — | — | |
| SCHEMBL29314660 | 0.79 | — | — | |
| SCHEMBL2786155 | 0.79 | — | — | |
| SCHEMBL16659522 | 0.79 | — | — | |
| SCHEMBL23083352 | 0.74 | SLC6A2 (0.38) | — | |
| SCHEMBL23083342 | 0.74 | SLC6A2 (0.38) | — |
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-10030019-B2 | Bicyclic compounds and their use as antibacterial agents and β-lactamase inhibitors | FEDORA PHARMACEUTICALS INC. (CA) | 2018-07-24 | — | — | US | disclosed |
| EP-3144311-A1 | TRICYCLIC HETEROCYCLIC DERIVATIVE HAVING HIV REPLICATION-INHIBITING EFFECT | Shionogi & Co., Ltd. (JP) | 2017-03-22 | — | — | EP | disclosed |
| US-9393239-B2 | Bicyclic compounds and their use as antibacterial agents and betalactamase inhibitors | FEDORA PHARMACEUTICALS INC. (CA) | 2016-07-19 | — | — | US | disclosed |
| US-20140221341-A1 | BICYCLIC COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS AND BETALACTAMASE INHIBITORS | NAEJA PHARMACEUTICAL INC. (CA) | 2014-08-07 | — | — | US | disclosed |