⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4695390 | 0.71 | — | — | |
| SCHEMBL446545 | 0.67 | — | — | |
| SCHEMBL184122 | 0.65 | CYP2A6 (0.30) | — | |
| SCHEMBL16568924 | 0.64 | — | — | |
| SCHEMBL2067264 | 0.63 | — | — | |
| SCHEMBL8653698 | 0.63 | — | — | |
| SCHEMBL8921894 | 0.62 | — | — | |
| SCHEMBL446036 | 0.62 | — | — | |
| SCHEMBL787909 | 0.62 | — | — | |
| SCHEMBL788857 | 0.62 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2332940-B1 | Azaindoles useful as inhibitors of JAK and other protein kinases | VERTEX PHARMA (US) | 2012-10-31 | — | — | EP | claimed |
| EP-2332940-B1 | Azaindoles useful as inhibitors of JAK and other protein kinases | VERTEX PHARMA (US) | 2012-10-31 | — | — | EP | disclosed |
| US-7666809-B2 | Electrode catalyst for fuel cell, electrode for fuel cell, and fuel cell | KONICA MINOLTA HOLDINGS, INC. (JP) | 2010-02-23 | — | — | US | disclosed |
| US-20080081760-A1 | Electrode Catalyst For Fuel Cell, Electrode For Fuel Cell, And Fuel Cell | KONICA MINOLTA HOLDINGS, INC. (JP) | 2008-04-03 | — | — | US | disclosed |