⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4044078 | 1.00 | — | — | |
| SCHEMBL6372818 | 1.00 | — | — | |
| SCHEMBL15591435 | 1.00 | — | — | |
| SCHEMBL2637947 | 1.00 | — | — | |
| SCHEMBL6379879 | 1.00 | — | — | |
| SCHEMBL13037384 | 1.00 | — | — | |
| SCHEMBL6371809 | 0.80 | DPP4 (0.30) | — | |
| SCHEMBL24354933 | 0.79 | — | — | |
| SCHEMBL31627276 | 0.76 | — | — | |
| SCHEMBL13541153 | 0.76 | — | — |
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-20110201642-A1 | Bioactive Compounds | BLUNT JOHN | 2011-08-18 | — | — | US | disclosed |