⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22176371 | 0.86 | SIGMAR1 (0.36) | — | |
| SCHEMBL22175858 | 0.82 | L3MBTL4 (0.38) | — | |
| SCHEMBL22175863 | 0.81 | SIGMAR1 (0.37) | — | |
| SCHEMBL22176523 | 0.81 | SIGMAR1 (0.37) | — | |
| SCHEMBL22175908 | 0.81 | SIGMAR1 (0.37) | — | |
| SCHEMBL22176151 | 0.81 | NOS2 (0.30) | — | |
| SCHEMBL22175873 | 0.73 | — | — | |
| SCHEMBL23969379 | 0.73 | MPO (0.36) | — | |
| SCHEMBL23969232 | 0.73 | HRH4 (0.34) | — | |
| SCHEMBL23969231 | 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-3903788-A1 | PYRAZOLO[1,5-A]PYRIMIDINE MACROCYCLIC COMPOUND | Taisho Pharmaceutical Co., Ltd. (JP) | 2021-11-03 | — | — | EP | disclosed |
| WO-2020138015-A1 | PYRAZOLO[1,5-A]PYRIMIDINE MACROCYCLIC COMPOUND | 大正製薬株式会社 | 2020-07-02 | — | — | WO | disclosed |