⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15591672 | 0.78 | TSHR (0.36) | — | |
| SCHEMBL27446710 | 0.76 | ALDH1A1 (0.42) | — | |
| SCHEMBL27446180 | 0.74 | EPHX1 (0.42) | — | |
| SCHEMBL27497784 | 0.74 | EPHX1 (0.42) | — | |
| SCHEMBL15159800 | 0.74 | EPHX1 (0.42) | — | |
| SCHEMBL27498119 | 0.74 | EPHX1 (0.42) | — | |
| SCHEMBL6398657 | 0.74 | EPHX1 (0.42) | — | |
| SCHEMBL5487310 | 0.74 | EPHX1 (0.42) | — | |
| SCHEMBL1013597 | 0.74 | — | — | |
| SCHEMBL20206099 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2004653-B1 | 3-SUBSTITUTED N-(ARYL- OR HETEROARYL)-PYRAZO[1,5-A]PYRIMIDINES AS KINASE INHIBITORS | NOVARTIS AG (CH) | 2009-12-30 | — | — | EP | disclosed |
| US-20090275593-A1 | 3 Substituted N-(aryl- or heteroaryl)-pyrazolo[1,5-a]pyrimidines as Kinase Inhibitors | NOVARTIS AG | 2009-11-05 | — | — | US | disclosed |