⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18543772 | 1.00 | — | — | |
| SCHEMBL25481623 | 1.00 | — | — | |
| SCHEMBL12527756 | 0.82 | — | — | |
| SCHEMBL14639713 | 0.82 | — | — | |
| SCHEMBL14471673 | 0.79 | SIGMAR1 (0.35) | — | |
| SCHEMBL25757237 | 0.79 | SIGMAR1 (0.35) | — | |
| SCHEMBL23777024 | 0.79 | SIGMAR1 (0.35) | — | |
| SCHEMBL13213181 | 0.76 | TDP1 (0.36) | — | |
| SCHEMBL19540674 | 0.76 | EPHX2 (0.43) | — | |
| SCHEMBL7922877 | 0.76 | TDP1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017029602-A2 | COMPOUNDS FOR USE IN ANTIBACTERIAL APPLICATIONS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2017-02-23 | — | — | WO | disclosed |