⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12483255 | 0.84 | — | — | |
| SCHEMBL22772 | 0.78 | — | — | |
| SCHEMBL5472363 | 0.78 | — | — | |
| SCHEMBL1747684 | 0.77 | — | — | |
| SCHEMBL5475474 | 0.74 | CYP1A2 (0.31) | — | |
| SCHEMBL68739 | 0.73 | — | — | |
| SCHEMBL22434 | 0.73 | — | — | |
| SCHEMBL17165129 | 0.72 | — | — | |
| SCHEMBL31558367 | 0.72 | — | — | |
| SCHEMBL12569417 | 0.72 | — | — |
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-7662849-B2 | Amidino compounds as cysteine protease inhibitors | VIROBAY, INC. (US) | 2010-02-16 | — | — | US | disclosed |
| EP-1761485-A1 | AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | Schering AG (DE) | 2007-03-14 | — | — | EP | disclosed |
| US-20060264464-A1 | Amidino compounds as cysteine protease inhibitors | QUEST DIAGNOSTICS INVESTMENTS LLC | 2006-11-23 | — | — | US | disclosed |
| WO-2004108661-A1 | AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS (US) | 2004-12-16 | — | — | WO | disclosed |
| US-4842638-A | Herbicidal tetrahydro(thio)pyran-2,4-dione derivatives | BASF AKTIENGESELLSCHAFT (DE) | 1989-06-27 | — | — | US | disclosed |