⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21366241 | 0.82 | PDE3B (0.35) | — | |
| SCHEMBL10160988 | 0.79 | GRM5 (0.33) | — | |
| SCHEMBL21366009 | 0.76 | — | — | |
| SCHEMBL22185880 | 0.75 | MAP4K4 (0.42) | — | |
| SCHEMBL25837853 | 0.73 | RPS6KA5 (0.38) | — | |
| SCHEMBL22185837 | 0.71 | POLB (0.50) | — | |
| SCHEMBL19412854 | 0.69 | KDM4E (0.38) | — | |
| SCHEMBL22900751 | 0.68 | KDM2B (0.31) | — | |
| SCHEMBL22185259 | 0.67 | CPB1 (0.33) | — | |
| SCHEMBL11974045 | 0.67 | CPB2 (0.48) | — |
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-11691967-B2 | Antibiotics effective for gram-negative pathogens | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2023-07-04 | — | — | US | disclosed |