⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19441826 | 0.77 | — | — | |
| SCHEMBL25626217 | 0.73 | — | — | |
| SCHEMBL2473684 | 0.70 | TSHR (0.30) | — | |
| SCHEMBL2473687 | 0.70 | TSHR (0.30) | — | |
| SCHEMBL12508452 | 0.67 | — | — | |
| SCHEMBL18632229 | 0.65 | — | — | |
| SCHEMBL8737866 | 0.64 | — | — | |
| SCHEMBL14069971 | 0.62 | — | — | |
| SCHEMBL20938475 | 0.61 | — | — | |
| SCHEMBL15785947 | 0.60 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3838903-A1 | PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR | Incyte Holdings Corporation (US) | 2021-06-23 | — | — | EP | disclosed |
| EP-3466953-A1 | PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR | Incyte Holdings Corporation (US) | 2019-04-10 | — | — | EP | disclosed |
| EP-3184526-A1 | PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AS JANUS KINASE INHIBITOR | Incyte Holdings Corporation (US) | 2017-06-28 | — | — | EP | disclosed |