⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10050009 | 0.76 | DGAT1 (0.33) | — | |
| SCHEMBL21999073 | 0.73 | — | — | |
| SCHEMBL24160916 | 0.67 | DGAT1 (0.32) | — | |
| SCHEMBL31505096 | 0.67 | NPSR1 (0.41) | — | |
| SCHEMBL16677127 | 0.66 | HSP90AA1 (0.32) | — | |
| SCHEMBL13753278 | 0.66 | — | — | |
| SCHEMBL2602176 | 0.65 | HSP90AA1 (0.38) | — | |
| SCHEMBL1106088 | 0.65 | DGAT1 (0.35) | — | |
| SCHEMBL2602384 | 0.65 | DGAT1 (0.35) | — | |
| SCHEMBL19307839 | 0.65 | SHBG (0.35) | — |
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-20220177947-A1 | Compounds to Identify Beta-Lactamases, and Methods of Use Thereof | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2022-06-09 | — | — | US | disclosed |