⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17834060 | 0.87 | SHBG (0.52) | — | |
| SCHEMBL4993233 | 0.87 | SHBG (0.52) | — | |
| SCHEMBL21785851 | 0.84 | PIK3CD (0.35) | — | |
| SCHEMBL10198729 | 0.80 | SHBG (0.37) | — | |
| SCHEMBL17854865 | 0.79 | SHBG (0.39) | — | |
| SCHEMBL18471530 | 0.75 | — | — | |
| SCHEMBL10873031 | 0.75 | SHBG (0.33) | — | |
| SCHEMBL17219541 | 0.74 | SHBG (0.35) | — | |
| SCHEMBL27154294 | 0.74 | SHBG (0.43) | — | |
| SCHEMBL27535302 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230024302-A1 | 2,3,5-TRISUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS | ARCUS BIOSCIENCES, INC. | 2023-01-26 | — | — | US | disclosed |