⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL940127 | 0.93 | SLC6A4 (0.35) | — | |
| SCHEMBL12557618 | 0.84 | — | — | |
| SCHEMBL6843844 | 0.75 | — | — | |
| SCHEMBL27504488 | 0.73 | — | — | |
| SCHEMBL2270519 | 0.72 | MAPT (0.30) | — | |
| SCHEMBL1060737 | 0.72 | — | — | |
| SCHEMBL27935368 | 0.70 | — | — | |
| SCHEMBL9152767 | 0.68 | SLC6A3 (0.38) | — | |
| SCHEMBL24483580 | 0.67 | SLC6A4 (0.34) | — | |
| SCHEMBL24129062 | 0.67 | SLC6A4 (0.34) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6958358-B2 | administering a cystatin; 4-tert-Butyl-N-[2-(4-hydroxyphenyl)-1S-(3-oxo-hexahydrocyclopenta[b]furan-3a-ylcarbamoyl)-ethyl]benzamide; bioassay for validation of efficacy ; Chagas' disease; parasiticide, trypanocide | AMURA THERAPEUTICS LIMITED (GB) | 2005-10-25 | — | — | US | disclosed |
| US-20040106805-A1 | Inhibitors of cruzipain and other cysteine proteases | AMURA THERAPEUTICS LIMITED (GB) | 2004-06-03 | — | — | US | disclosed |
| EP-1358176-A2 | INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES | Amura Therapeutics Limited (GB) | 2003-11-05 | — | — | EP | disclosed |
| WO-2002057246-A2 | INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES | AMURA THERAPEUTICS LIMITED (GB) | 2002-07-25 | — | — | WO | disclosed |
| US-5959141-A | 1-amino-2-hydroxycycloalkanecarboxylic acid derivatives | SUNTORY LIMITED (JP) | 1999-09-28 | — | — | US | disclosed |