⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL874337 | 0.72 | — | — | |
| SCHEMBL7573116 | 0.70 | — | — | |
| SCHEMBL5519070 | 0.65 | — | — | |
| SCHEMBL7828159 | 0.63 | — | — | |
| SCHEMBL14914458 | 0.63 | ALDH1A1 (0.36) | — | |
| SCHEMBL1177795 | 0.61 | SMN1; SMN2 (0.53) | — | |
| SCHEMBL13857809 | 0.60 | — | — | |
| SCHEMBL14101850 | 0.60 | — | — | |
| SCHEMBL18930176 | 0.60 | — | — | |
| SCHEMBL266971 | 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 |
|---|---|---|---|---|---|---|---|
| US-9376438-B2 | Pyrazolopyrimidine derivatives as tyrosine kinase inhibitors | PRINCIPIA BIOPHARMA, INC. (US) | 2016-06-28 | — | — | US | disclosed |
| US-20140221398-A1 | PYRAZOLOPYRIMIDINE DERIVATIVES AS TYROSINE KINASE INHIBITORS | PRINCIPIA BIOPHARMA INC. (US) | 2014-08-07 | — | — | US | disclosed |
| US-20140107151-A1 | TYROSINE KINASE INHIBITORS | Principia Biophama Inc. (US) | 2014-04-17 | — | — | US | disclosed |