⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24345291 | 0.72 | — | — | |
| SCHEMBL24086698 | 0.70 | — | — | |
| SCHEMBL22921046 | 0.66 | — | — | |
| SCHEMBL18973289 | 0.64 | — | — | |
| SCHEMBL22920979 | 0.63 | — | — | |
| SCHEMBL28890835 | 0.62 | MAPK1 (0.33) | — | |
| SCHEMBL28327085 | 0.61 | DNM1 (0.39) | — | |
| SCHEMBL402474 | 0.61 | MAPK1 (0.36) | — | |
| SCHEMBL20457451 | 0.60 | HRH3 (0.37) | — | |
| SCHEMBL8598977 | 0.60 | — | — |
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-11339184-B2 | Antibacterial compounds, compositions thereof, and methods using same | THE ROCKEFELLER UNIVERSITY (US) | 2022-05-24 | — | — | US | disclosed |
| US-20210024562-A1 | ANTIBACTERIAL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS USING SAME | THE ROCKEFELLER UNIVERSITY | 2021-01-28 | — | — | US | disclosed |