⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25216335 | 0.80 | CCR1 (0.39) | — | |
| SCHEMBL25239087 | 0.79 | PDE2A (0.33) | — | |
| SCHEMBL29444546 | 0.79 | CTH (0.35) | — | |
| SCHEMBL906585 | 0.79 | CTH (0.35) | — | |
| SCHEMBL1041388 | 0.79 | HTR7 (0.33) | — | |
| SCHEMBL1814163 | 0.76 | GRM5 (0.32) | — | |
| SCHEMBL534247 | 0.74 | HTR7 (0.35) | — | |
| SCHEMBL29427057 | 0.74 | HTR7 (0.35) | — | |
| SCHEMBL2757632 | 0.74 | HTR7 (0.35) | — | |
| SCHEMBL957932 | 0.74 | SMN1; SMN2 (0.43) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8367706-B2 | Inhibitors of janus kinases | MERCK SHARP & DOHME CORP. (US) | 2013-02-05 | — | — | US | disclosed |
| US-8367706-B2 | Inhibitors of janus kinases | MERCK SHARP & DOHME CORP. (US) | 2013-02-05 | — | — | US | disclosed |
| US-8367706-B2 | Inhibitors of janus kinases | MERCK SHARP & DOHME CORP. (US) | 2013-02-05 | — | — | US | disclosed |
| EP-2166846-B1 | INHIBITORS OF JANUS KINASES | MERCK SHARP & DOHME (US) | 2012-10-17 | — | — | EP | disclosed |
| EP-2166846-B1 | INHIBITORS OF JANUS KINASES | MERCK SHARP & DOHME (US) | 2012-10-17 | — | — | EP | disclosed |
| US-20100256097-A1 | INHIBITORS OF JANUS KINASES | MERCK SHARP & DOHME LLC | 2010-10-07 | — | — | US | disclosed |
| US-20100256097-A1 | INHIBITORS OF JANUS KINASES | MERCK SHARP & DOHME LLC | 2010-10-07 | — | — | US | disclosed |
| US-20100256097-A1 | INHIBITORS OF JANUS KINASES | MERCK SHARP & DOHME LLC | 2010-10-07 | — | — | US | disclosed |
| EP-2166846-A1 | INHIBITORS OF JANUS KINASES | Merck Sharp & Dohme Corp. (US) | 2010-03-31 | — | — | EP | disclosed |
| WO-2008156726-A1 | INHIBITORS OF JANUS KINASES | MERCK & CO., INC. (US) | 2008-12-24 | — | — | WO | disclosed |
| WO-2008156726-A1 | INHIBITORS OF JANUS KINASES | MERCK & CO., INC. (US) | 2008-12-24 | — | — | WO | disclosed |