⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23628944 | 0.85 | TOP2A (0.48) | — | |
| SCHEMBL23628891 | 0.80 | — | — | |
| SCHEMBL23628895 | 0.77 | — | — | |
| SCHEMBL23628921 | 0.75 | NPC1 (0.44) | — | |
| SCHEMBL23628980 | 0.71 | TOP2A (0.51) | — | |
| SCHEMBL23629049 | 0.71 | MEN1 (0.42) | — | |
| SCHEMBL23628918 | 0.70 | HSD17B10 (0.56) | — | |
| SCHEMBL23628974 | 0.65 | SCD (0.62) | — | |
| SCHEMBL23628994 | 0.65 | — | — | |
| SCHEMBL23628978 | 0.64 | SMN1; SMN2 (0.52) | — |
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-20210323957-A1 | NEW CLASS OF DNA GYRASE AND/OR TOPOISOMERASE IV INHIBITORS WITH ACTIVITY AGAINST GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA | UNIVERZA V LJUBLJANI (SI) | 2021-10-21 | — | — | US | disclosed |