⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6620974 | 0.77 | — | — | |
| SCHEMBL2398797 | 0.75 | SHBG (0.38) | — | |
| SCHEMBL12952628 | 0.75 | — | — | |
| SCHEMBL21401127 | 0.75 | ALDH1A1 (0.37) | — | |
| SCHEMBL24449424 | 0.73 | SHBG (0.40) | — | |
| SCHEMBL15194188 | 0.73 | SHBG (0.32) | — | |
| SCHEMBL11584893 | 0.73 | — | — | |
| SCHEMBL15194187 | 0.73 | SHBG (0.32) | — | |
| SCHEMBL51689 | 0.72 | — | — | |
| SCHEMBL13399127 | 0.72 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130071415-A1 | Heterocyclic Compounds as Janus Kinase Inhibitors | BIOCRYST PHARMACEUTICALS, INC. (US) | 2013-03-21 | — | — | US | disclosed |
| US-20120149662-A1 | Heterocyclic Compounds as Janus Kinase Inhibitors | BIOCRYST PHARMACEUTICALS, INC. (US) | 2012-06-14 | — | — | US | disclosed |