⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1576842 | 0.81 | — | — | |
| SCHEMBL1576840 | 0.78 | — | — | |
| SCHEMBL2517064 | 0.74 | — | — | |
| SCHEMBL1576827 | 0.72 | — | — | |
| SCHEMBL18131485 | 0.72 | — | — | |
| SCHEMBL4075432 | 0.70 | — | — | |
| SCHEMBL4075429 | 0.67 | — | — | |
| SCHEMBL28566980 | 0.67 | — | — | |
| SCHEMBL20495253 | 0.65 | DGAT1 (0.30) | — | |
| SCHEMBL28447363 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011041293-A1 | PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-04-07 | — | — | WO | claimed |
| WO-2011041293-A1 | PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-04-07 | — | — | WO | disclosed |