⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18114011 | 0.93 | — | — | |
| SCHEMBL18114010 | 0.86 | — | — | |
| SCHEMBL19999935 | 0.84 | — | — | |
| SCHEMBL19999946 | 0.80 | — | — | |
| SCHEMBL19990381 | 0.79 | — | — | |
| SCHEMBL19999929 | 0.79 | — | — | |
| SCHEMBL19990380 | 0.73 | — | — | |
| SCHEMBL18113992 | 0.73 | — | — | |
| SCHEMBL19999940 | 0.71 | — | — | |
| SCHEMBL18114002 | 0.70 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3277685-A1 | HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS | Mutabilis (FR) | 2018-02-07 | — | — | EP | disclosed |
| WO-2016156346-A1 | HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS | MUTABILIS (FR) | 2016-10-06 | — | — | WO | disclosed |
| WO-2016156344-A1 | HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS | MUTABILIS (FR) | 2016-10-06 | — | — | WO | disclosed |