⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1272568 | 0.81 | ALDH1A1 (0.34) | — | |
| SCHEMBL1271699 | 0.74 | — | — | |
| SCHEMBL18136235 | 0.74 | — | — | |
| SCHEMBL1272563 | 0.73 | — | — | |
| SCHEMBL1272186 | 0.70 | TP53 (0.32) | — | |
| SCHEMBL4939634 | 0.69 | — | — | |
| SCHEMBL2378082 | 0.67 | ADH1B (0.34) | — | |
| SCHEMBL1273260 | 0.67 | CHRNB2 (0.41) | — | |
| SCHEMBL25027119 | 0.67 | KDM4E (0.40) | — | |
| SCHEMBL18664057 | 0.65 | DPP4 (0.37) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1866277-B1 | SULFONYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | VIROBAY INC (US) | 2014-06-25 | — | — | EP | claimed |
| EP-1866277-A2 | SULFONYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | CELERA GENOMICS (US) | 2007-12-19 | — | — | EP | disclosed |
| WO-2006102535-A2 | SULFONYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | CELERA GENOMICS (US) | 2006-09-28 | — | — | WO | disclosed |