⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7233626 | 0.99 | SLC6A12 (0.30) | — | |
| Trifluoroacetic Acid SCHEMBL7233746 | 0.82 | F10 (0.30) | — | |
| SCHEMBL7240834 | 0.81 | — | — | |
| SCHEMBL7230775 | 0.78 | BTK (0.37) | — | |
| SCHEMBL4423884 | 0.77 | GABRR1 (0.32) | — | |
| Trifluoroacetic Acid SCHEMBL7240936 | 0.77 | — | — | |
| SCHEMBL7236294 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL4412458 | 0.76 | GABRR1 (0.31) | — | |
| SCHEMBL4416900 | 0.72 | — | — | |
| SCHEMBL5722385 | 0.72 | SLC6A12 (0.39) | — |
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-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 |