⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8695738 | 0.84 | CA1 (0.36) | — | |
| SCHEMBL511158 | 0.74 | — | — | |
| SCHEMBL3938679 | 0.74 | CA1 (0.36) | — | |
| SCHEMBL11547215 | 0.70 | CA1 (0.33) | — | |
| SCHEMBL15962414 | 0.70 | CA1 (0.33) | — | |
| SCHEMBL9854226 | 0.70 | CA1 (0.37) | — | |
| SCHEMBL2174072 | 0.69 | — | — | |
| SCHEMBL20547768 | 0.69 | — | — | |
| SCHEMBL16657572 | 0.69 | — | — | |
| SCHEMBL14648615 | 0.67 | CA1 (0.31) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8853281-B2 | Cysteine protease inhibitors | MEDIVIR UK LTD (GB) | 2014-10-07 | — | — | US | disclosed |
| US-20110312964-A1 | CYSTEINE PROTEASE INHIBITORS | MEDIVIR UK LTD (GB) | 2011-12-22 | — | — | US | disclosed |
| EP-2129222-A1 | DIAMINOPYRIMIDINES AS FUNGICIDES | Bayer CropScience AG (DE) | 2009-12-09 | — | — | EP | disclosed |
| WO-2008107096-A1 | DIAMINOPYRIMIDINES AS FUNGICIDES | BAYER CROPSCIENCE AG (DE) | 2008-09-12 | — | — | WO | disclosed |