⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19474284 | 0.78 | — | — | |
| SCHEMBL3647422 | 0.76 | — | — | |
| SCHEMBL4025607 | 0.76 | — | — | |
| SCHEMBL7741975 | 0.76 | — | — | |
| SCHEMBL14037801 | 0.74 | HSD17B10 (0.38) | — | |
| SCHEMBL8662458 | 0.73 | — | — | |
| SCHEMBL2166883 | 0.73 | — | — | |
| Acetamide SCHEMBL4651389 | 0.71 | HTR2A (0.34) | — | |
| SCHEMBL13785217 | 0.71 | PRCP (0.50) | — | |
| SCHEMBL3685409 | 0.71 | — | — |
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-20040132055-A1 | Recombinant chalcomycin polyketide synthase and modifying genes | KOSAN BIOSCIENCES INCORPORATED | 2004-07-08 | — | — | US | disclosed |