⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20102337 | 0.88 | — | — | |
| SCHEMBL20102331 | 0.85 | — | — | |
| SCHEMBL18107012 | 0.76 | GLS (0.33) | — | |
| SCHEMBL20102315 | 0.75 | — | — | |
| SCHEMBL18107016 | 0.74 | ALDH1A1 (0.30) | — | |
| SCHEMBL28353753 | 0.67 | — | — | |
| SCHEMBL18114792 | 0.64 | KRAS (0.34) | — | |
| SCHEMBL20102332 | 0.64 | KDM4E (0.32) | — | |
| SCHEMBL18107011 | 0.63 | — | — | |
| SCHEMBL20102326 | 0.62 | — | — |
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-20180118765-A1 | HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS | MUTABILIS (FR) | 2018-05-03 | — | — | US | disclosed |