⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7046725 | 1.00 | — | — | |
| SCHEMBL7232739 | 0.88 | PLA2G2C (0.35) | — | |
| SCHEMBL7043904 | 0.88 | PLA2G2C (0.35) | — | |
| SCHEMBL2350036 | 0.81 | — | — | |
| SCHEMBL2350041 | 0.81 | — | — | |
| SCHEMBL2350045 | 0.81 | — | — | |
| SCHEMBL7230549 | 0.81 | — | — | |
| SCHEMBL7242048 | 0.80 | — | — | |
| SCHEMBL7048518 | 0.80 | NEU2 (0.36) | — | |
| SCHEMBL13929493 | 0.75 | NEU2 (0.47) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6562861-B1 | (1R,3R,4R,1'S)-(-)-(1'-acetylamino-2 '-ethyl)butyl-4-(aminoimino)methylaminocyclopentan-1-carboxylic acid was prepd. and tested in vitro as neuraminidase inhibitor (IC50 less-than 1.mu.M). Bactericides or viricides | BIOCRYST PHARMACEUTICALS, INC. | 2003-05-13 | — | — | US | claimed |
| US-6562861-B1 | (1R,3R,4R,1'S)-(-)-(1'-acetylamino-2 '-ethyl)butyl-4-(aminoimino)methylaminocyclopentan-1-carboxylic acid was prepd. and tested in vitro as neuraminidase inhibitor (IC50 less-than 1.mu.M). Bactericides or viricides | BIOCRYST PHARMACEUTICALS, INC. | 2003-05-13 | — | — | US | disclosed |