⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22175873 | 0.86 | — | — | |
| SCHEMBL22175868 | 0.86 | GABRG2 (0.31) | — | |
| SCHEMBL23969231 | 0.78 | — | — | |
| SCHEMBL23969190 | 0.77 | — | — | |
| SCHEMBL23969189 | 0.75 | MEN1 (0.36) | — | |
| SCHEMBL23969192 | 0.73 | MTNR1A (0.34) | — | |
| SCHEMBL23969314 | 0.73 | — | — | |
| SCHEMBL22176065 | 0.73 | HPGD (0.33) | — | |
| SCHEMBL22175867 | 0.73 | GABRG2 (0.30) | — | |
| SCHEMBL22175843 | 0.73 | THRB (0.42) | — |
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 1 patent. 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 |