⚠ 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 | |
|---|---|---|---|---|
| Ethane Dimethane Sulfonate SCHEMBL1336145 | 0.81 | USP2 (0.75) | — | |
| Ethane Dimethane Sulfonate SCHEMBL4154177 | 0.75 | USP2 (0.67) | — | |
| Ethane Dimethane Sulfonate SCHEMBL4140371 | 0.75 | USP2 (0.67) | — | |
| SCHEMBL576408 | 0.75 | TSHR (0.88) | — | |
| Busulfan SCHEMBL4764696 | 0.75 | TSHR (1.00) | — | |
| Ethane Dimethane Sulfonate SCHEMBL4148513 | 0.75 | USP2 (0.67) | — | |
| Ethane Dimethane Sulfonate SCHEMBL4143911 | 0.75 | USP2 (0.67) | — | |
| Busulfan SCHEMBL4373 | 0.75 | TSHR (1.00) | — | |
| Ethane Dimethane Sulfonate SCHEMBL4149477 | 0.75 | USP2 (0.67) | — | |
| SCHEMBL5026205 | 0.75 | PTGS1 (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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103945870-B | Biodegradable cross-linked hydrogel | 普罗林科斯有限责任公司 | 2016-10-12 | — | — | CN | disclosed |
| CN-101676268-B | Frangible compounds for pathogen inactivation | CERUS CORP | 2013-09-25 | — | — | CN | disclosed |
| CN-1248245-B | Friable compounds for pathogen inactivation | CERUS CORP | 2012-07-04 | — | — | CN | disclosed |
| CN-101676268-A | frangible compounds for pathogen inactivation | CERUS CORP | 2010-03-24 | — | — | CN | disclosed |
| US-7371747-B2 | Cyanoalkylamino derivatives as protease inhibitors | MERCK FROSST CANADA & CO. (CA) | 2008-05-13 | — | — | US | disclosed |
| EP-1446115-B1 | CYANOALKYLAMINO DERIVATIVES AS PROTEASE INHIBITORS | MERCK FROSST CANADA LTD (CA) | 2008-02-27 | — | — | EP | disclosed |
| EP-1446115-A4 | CYANOALKYLAMINO DERIVATIVES AS PROTEASE INHIBITORS | MERCK FROSST CANADA INC (CA) | 2005-02-02 | — | — | EP | disclosed |
| US-20050014941-A1 | Cyanoalkylamino derivatives as protease inhibitors | MERCK FROSST CANADA LTD. (CA) | 2005-01-20 | — | — | US | disclosed |
| EP-1446115-A2 | CYANOALKYLAMINO DERIVATIVES AS PROTEASE INHIBITORS | Merck Frosst Canada & Co. (CA) | 2004-08-18 | — | — | EP | disclosed |
| WO-2003041649-A2 | CYANOALKYLAMINO DERIVATIVES AS PROTEASE INHIBITORS | MERCK FROSST CANADA & CO. (CA) | 2003-05-22 | — | — | WO | disclosed |