⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21265251 | 0.77 | CYP2C9 (0.33) | — | |
| SCHEMBL24737252 | 0.76 | MEN1 (0.31) | — | |
| SCHEMBL23677769 | 0.75 | — | — | |
| SCHEMBL19221389 | 0.74 | — | — | |
| SCHEMBL23593933 | 0.71 | — | — | |
| SCHEMBL22564399 | 0.71 | — | — | |
| SCHEMBL9421021 | 0.70 | FUCA1 (0.33) | — | |
| SCHEMBL19245456 | 0.70 | MEN1 (0.31) | — | |
| SCHEMBL8352355 | 0.70 | MEN1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL8016465 | 0.68 | FUCA1 (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 |
|---|---|---|---|---|---|---|---|
| WO-2008140973-A1 | SEMI-SYNTHETIC GLYCOPEPTIDES WITH ANTIBACTERIAL ACTIVITY | LEAD THERAPEUTICS, INC. (US) | 2008-11-20 | — | — | WO | disclosed |