⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23639195 | 0.87 | — | — | |
| SCHEMBL24783907 | 0.78 | PDCD1 (0.30) | — | |
| SCHEMBL23639167 | 0.64 | CCNT1 (0.31) | — | |
| SCHEMBL18517325 | 0.62 | BACE1 (0.32) | — | |
| SCHEMBL25543182 | 0.62 | — | — | |
| SCHEMBL23639265 | 0.60 | BACE1 (0.33) | — | |
| SCHEMBL23055335 | 0.60 | NR1I2 (0.34) | — | |
| SCHEMBL26157093 | 0.58 | BACE1 (0.33) | — | |
| SCHEMBL11195331 | 0.57 | ESR2 (0.50) | — | |
| SCHEMBL11197977 | 0.57 | ESR2 (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021039961-A1 | RING-FUSED PYRAZOLE DERIVATIVE | 大日本住友製薬株式会社 | 2021-03-04 | — | — | WO | disclosed |