⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11174630 | 0.70 | — | — | |
| SCHEMBL2114223 | 0.70 | — | — | |
| SCHEMBL11162856 | 0.70 | — | — | |
| SCHEMBL14084795 | 0.67 | KDM4E (0.34) | — | |
| SCHEMBL13101158 | 0.67 | TNKS (0.32) | — | |
| SCHEMBL18084572 | 0.67 | LMNA (0.33) | — | |
| SCHEMBL23181017 | 0.64 | MAP3K5 (0.35) | — | |
| SCHEMBL31180513 | 0.64 | ALDH1A1 (0.35) | — | |
| SCHEMBL20341672 | 0.64 | KDM4E (0.37) | — | |
| SCHEMBL26953504 | 0.64 | BRD4 (0.32) | — |
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-3277686-B1 | NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS | MUTABILIS (FR) | 2020-07-22 | — | — | EP | disclosed |
| US-10072006-B2 | Heterocyclic compounds and their use in preventing or treating bacterial infections | MUTABILIS (FR) | 2018-09-11 | — | — | US | disclosed |
| US-20180086761-A1 | NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS | MUTABILIS (FR) | 2018-03-29 | — | — | US | disclosed |