⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL178605 | 1.00 | — | — | |
| SCHEMBL7600229 | 1.00 | — | — | |
| SCHEMBL7760040 | 0.87 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL7760037 | 0.87 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL3965582 | 0.86 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL3969911 | 0.86 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL8155788 | 0.86 | TSHR (0.38) | — | |
| SCHEMBL3969909 | 0.86 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL6291179 | 0.85 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL6290068 | 0.85 | SMN1; SMN2 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120058989-A1 | ANTIBACTERIAL FLUOROQUINOLONE ANALOGS | ACHAOGEN, INC. (US) | 2012-03-08 | — | — | US | disclosed |