⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17278812 | 0.74 | — | — | |
| SCHEMBL871735 | 0.74 | — | — | |
| SCHEMBL18126122 | 0.69 | — | — | |
| SCHEMBL19253470 | 0.69 | DRD3 (0.34) | — | |
| SCHEMBL9918782 | 0.69 | — | — | |
| SCHEMBL23135130 | 0.69 | DRD3 (0.34) | — | |
| SCHEMBL19253440 | 0.69 | — | — | |
| SCHEMBL10881206 | 0.67 | DRD3 (0.43) | — | |
| SCHEMBL9048142 | 0.66 | MAPK1 (0.38) | — | |
| SCHEMBL15177748 | 0.66 | DRD3 (0.33) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150087632-A1 | CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINES DERIVATIVES AS JAK INHIBITORS | INCYTE CORPORATION (US) | 2015-03-26 | — | — | US | disclosed |