⚠ 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL100164 | 0.83 | JAK2 (0.41) | — | |
| Trifluoroacetic Acid SCHEMBL29541415 | 0.83 | JAK2 (0.41) | — | |
| SCHEMBL102452 | 0.82 | JAK2 (0.41) | — | |
| Trifluoroacetic Acid SCHEMBL101321 | 0.74 | JAK2 (0.43) | — | |
| Trifluoroacetic Acid SCHEMBL29540582 | 0.73 | JAK2 (0.47) | — | |
| Trifluoroacetic Acid SCHEMBL99321 | 0.73 | JAK2 (0.47) | — | |
| SCHEMBL101793 | 0.73 | JAK2 (0.44) | — | |
| Trifluoroacetic Acid SCHEMBL29540819 | 0.72 | JAK2 (0.44) | — | |
| Trifluoroacetic Acid SCHEMBL100185 | 0.72 | JAK2 (0.44) | — | |
| SCHEMBL18638793 | 0.71 | TPH1 (0.30) | — |
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-8415362-B2 | Pyrazolyl substituted pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors | INCYTE CORPORATION (US) | 2013-04-09 | — | — | US | disclosed |
| US-20090181959-A1 | HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS | INCYTE CORPORATION (US) | 2009-07-16 | — | — | US | disclosed |