⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16588995 | 0.69 | — | — | |
| SCHEMBL871735 | 0.69 | — | — | |
| SCHEMBL17278812 | 0.69 | — | — | |
| SCHEMBL25511712 | 0.65 | DRD3 (0.32) | — | |
| SCHEMBL23135130 | 0.64 | DRD3 (0.34) | — | |
| SCHEMBL18126122 | 0.64 | — | — | |
| SCHEMBL19253470 | 0.64 | DRD3 (0.34) | — | |
| SCHEMBL19253440 | 0.64 | — | — | |
| SCHEMBL10881206 | 0.63 | DRD3 (0.43) | — | |
| SCHEMBL9048142 | 0.61 | MAPK1 (0.38) | — |
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 |