⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2842848 | 0.72 | — | — | |
| SCHEMBL3367644 | 0.72 | — | — | |
| SCHEMBL3988596 | 0.72 | — | — | |
| SCHEMBL11034689 | 0.72 | — | — | |
| Ammonia Solution, Strong SCHEMBL28847571 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL2564937 | 0.70 | — | — | |
| SCHEMBL3912744 | 0.69 | — | — | |
| SCHEMBL1148586 | 0.69 | — | — | |
| SCHEMBL3667667 | 0.67 | — | — | |
| SCHEMBL8815053 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3519411-B1 | HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS | MUTABILIS (FR) | 2022-06-22 | — | — | EP | disclosed |