⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6802978 | 0.89 | — | — | |
| SCHEMBL6800879 | 0.82 | PBK (0.31) | — | |
| SCHEMBL6801296 | 0.81 | MGLL (0.32) | — | |
| SCHEMBL6800971 | 0.75 | ERCC1 (0.34) | — | |
| SCHEMBL6800008 | 0.75 | NPC1 (0.35) | — | |
| SCHEMBL6806965 | 0.75 | RAB9A (0.38) | — | |
| SCHEMBL6802992 | 0.72 | — | — | |
| SCHEMBL6801297 | 0.63 | MGLL (0.34) | — | |
| SCHEMBL5099310 | 0.62 | KDM4E (0.35) | — | |
| SCHEMBL6802381 | 0.61 | CNR1 (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6730671-B2 | ENZYME INHIBITOR TREATING AUTOIMMUNE DISEASES, ALZHEIMER'S DISEASE, ATHEROSCLEROSIS | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. | 2004-05-04 | — | — | US | disclosed |
| US-20030158406-A1 | Compounds useful as reversible inhibitors of cathepsin S | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. | 2003-08-21 | — | — | US | disclosed |
| US-6608057-B2 | Compounds useful as reversible inhibitors of cathepsin S | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. | 2003-08-19 | — | — | US | disclosed |
| US-20020091259-A1 | Compounds useful as reversible inhibitors of cathepsin S | CYWIN CHARLES L (US) | 2002-07-11 | — | — | US | disclosed |
| US-6395897-B1 | DRUGS FOR ENZYME INHIBITORS ANTICOAGULANTS AND TREATMENT OF AUTOIMMUNE DISEASE | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. | 2002-05-28 | — | — | US | disclosed |