⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20383689 | 0.67 | CCNE1 (0.32) | — | |
| SCHEMBL14034450 | 0.65 | IDO1 (0.32) | — | |
| SCHEMBL10044574 | 0.65 | — | — | |
| SCHEMBL14107738 | 0.60 | — | — | |
| SCHEMBL22729737 | 0.60 | CCNE1 (0.55) | — | |
| SCHEMBL23295655 | 0.60 | KDM4E (0.45) | — | |
| SCHEMBL12653259 | 0.56 | SSTR4 (0.41) | — | |
| SCHEMBL260258 | 0.56 | CDK8 (0.56) | — | |
| SCHEMBL24840922 | 0.56 | — | — | |
| SCHEMBL259910 | 0.56 | KDM4E (0.41) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140221336-A1 | COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-08-07 | — | — | US | disclosed |
| US-20140221336-A1 | COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-08-07 | — | — | US | disclosed |
| WO-2014113485-A1 | LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS | INTERMUNE, INC. (US) | 2014-07-24 | — | — | WO | disclosed |
| US-20120157429-A1 | COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES | VERTEX PHARMACEUTICALS INCORPORATED | 2012-06-21 | — | — | US | disclosed |
| US-20120157429-A1 | COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES | VERTEX PHARMACEUTICALS INCORPORATED | 2012-06-21 | — | — | US | disclosed |
| US-20100160287-A1 | COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-06-24 | — | — | US | disclosed |
| WO-2008116139-A2 | N-HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-09-25 | — | — | WO | disclosed |