⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL17443677 | 0.78 | — | — | |
| SCHEMBL420695 | 0.78 | — | — | |
| SCHEMBL422018 | 0.74 | — | — | |
| SCHEMBL420704 | 0.74 | — | — | |
| SCHEMBL22190739 | 0.72 | DPP4 (0.33) | — | |
| SCHEMBL420711 | 0.72 | DPP4 (0.34) | — | |
| SCHEMBL421003 | 0.72 | DPP4 (0.34) | — | |
| SCHEMBL419801 | 0.72 | DPP4 (0.34) | — | |
| Hydrochloric Acid SCHEMBL13275335 | 0.70 | ESR2 (0.44) | — | |
| SCHEMBL351946 | 0.70 | EPHX1 (0.39) | — |
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-2017029602-A2 | COMPOUNDS FOR USE IN ANTIBACTERIAL APPLICATIONS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2017-02-23 | — | — | WO | disclosed |