⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17706160 | 0.77 | KDM4E (0.34) | — | |
| SCHEMBL17835264 | 0.77 | KDM4E (0.34) | — | |
| SCHEMBL27792554 | 0.77 | ESR2 (0.45) | — | |
| SCHEMBL3012888 | 0.77 | KDM4E (0.34) | — | |
| SCHEMBL18595246 | 0.77 | SHBG (0.36) | — | |
| SCHEMBL760606 | 0.77 | SHBG (0.36) | — | |
| SCHEMBL3748814 | 0.77 | ESR2 (0.45) | — | |
| SCHEMBL3748816 | 0.77 | ESR2 (0.45) | — | |
| SCHEMBL17835269 | 0.75 | KDM4E (0.39) | — | |
| SCHEMBL2023632 | 0.75 | SLC6A4 (0.32) | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100204200-A1 | INHIBITORS OF CATHEPSIN S | IRM LLC (BM) | 2010-08-12 | — | — | US | claimed |
| US-7732449-B2 | Inhibitors of cathepsin S | IRM LLC (BM) | 2010-06-08 | — | — | US | claimed |
| EP-1658267-B1 | INHIBITORS OF CATHEPSIN S | IRM LLC (BM) | 2009-10-14 | — | — | EP | claimed |
| US-20090137570-A1 | INHIBITORS OF CATHEPSIN S | IRM LLC (BM) | 2009-05-28 | — | — | US | claimed |
| CN-100478331-C | Inhibitors of cathepsin s | IRM LLC (BM) | 2009-04-15 | — | — | CN | claimed |
| US-7501408-B2 | Inhibitors of cathepsin S | IRM LLC (BM) | 2009-03-10 | — | — | US | claimed |
| US-20080108595-A1 | INHIBITORS OF CATHEPSIN S | IRM LLC (BM) | 2008-05-08 | — | — | US | claimed |
| US-7314872-B2 | Inhibitors of cathepsin S | IRM LLC (BM) | 2008-01-01 | — | — | US | claimed |
| EP-1658267-A4 | INHIBITORS OF CATHEPSIN S | IRM LLC (BM) | 2007-08-01 | — | — | EP | claimed |
| JP-2007502836-A | — | — | 2007-02-15 | — | — | JP | claimed |
| CN-1871216-A | Inhibitors of cathepsin s | IRM LLC (BM) | 2006-11-29 | — | — | CN | claimed |
| EP-1658267-A2 | INHIBITORS OF CATHEPSIN S | IRM LLC (BM) | 2006-05-24 | — | — | EP | claimed |
| US-20050113356-A1 | Inhibitors of cathepsin S | IRM LLC (BM) | 2005-05-26 | — | — | US | claimed |
| WO-2005034848-A2 | INHIBITORS OF CATHEPSIN S | IRM LLC (BM) | 2005-04-21 | — | — | WO | claimed |