⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19990110 | 1.00 | — | — | |
| SCHEMBL19990109 | 1.00 | — | — | |
| SCHEMBL19990112 | 1.00 | — | — | |
| SCHEMBL19990075 | 0.81 | — | — | |
| SCHEMBL19990073 | 0.81 | — | — | |
| SCHEMBL24909116 | 0.80 | NPSR1 (0.33) | — | |
| SCHEMBL15318923 | 0.75 | NPSR1 (0.31) | — | |
| SCHEMBL16553344 | 0.75 | NPSR1 (0.31) | — | |
| SCHEMBL16553343 | 0.75 | NPSR1 (0.31) | — | |
| SCHEMBL16552949 | 0.73 | — | — |
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 2 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-20180086761-A1 | NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS | MUTABILIS (FR) | 2018-03-29 | — | — | US | disclosed |