⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4241014 | 1.00 | — | — | |
| SCHEMBL20259600 | 1.00 | — | — | |
| SCHEMBL22103776 | 0.78 | — | — | |
| SCHEMBL19074617 | 0.78 | — | — | |
| SCHEMBL30094218 | 0.78 | — | — | |
| SCHEMBL51703 | 0.72 | — | — | |
| SCHEMBL22781133 | 0.72 | — | — | |
| SCHEMBL19920786 | 0.72 | — | — | |
| SCHEMBL23164 | 0.70 | — | — | |
| SCHEMBL15638641 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017093544-A1 | ALKYNYL PHOSPHINE GOLD COMPLEXES FOR TREATING BACTERIAL INFECTIONS | AUSPHERIX LIMITED (GB) | 2017-06-08 | — | — | WO | disclosed |