⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12427011 | 0.77 | — | — | |
| SCHEMBL13620736 | 0.75 | — | — | |
| SCHEMBL18404524 | 0.75 | — | — | |
| SCHEMBL8266884 | 0.75 | — | — | |
| SCHEMBL21088063 | 0.71 | — | — | |
| SCHEMBL12425573 | 0.62 | — | — | |
| SCHEMBL14517550 | 0.60 | — | — | |
| SCHEMBL13282614 | 0.60 | — | — | |
| SCHEMBL1160746 | 0.60 | — | — | |
| SCHEMBL12654596 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210054025-A1 | ANTIMICROBIAL COMPOUNDS AND/OR MODULATORS OF MICROBIAL INFECTIONS AND METHODS OF USING THE SAME | UNIV INDIANA RES & TECH CORP (US) | 2021-02-25 | — | — | US | disclosed |