⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21726305 | 0.70 | MET (0.30) | — | |
| SCHEMBL21726310 | 0.66 | CYP1A1 (0.42) | — | |
| SCHEMBL21796540 | 0.65 | ATR (0.40) | — | |
| SCHEMBL30422391 | 0.62 | CYP1A2 (0.36) | — | |
| SCHEMBL14530971 | 0.61 | ACACB (0.34) | — | |
| SCHEMBL25689662 | 0.61 | ACACB (0.34) | — | |
| SCHEMBL21797107 | 0.60 | MKNK1 (0.38) | — | |
| SCHEMBL5004880 | 0.60 | TLR8 (0.47) | — | |
| SCHEMBL28112158 | 0.60 | KDM4E (0.33) | — | |
| SCHEMBL21447514 | 0.59 | HDAC8 (0.39) | — |
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-10975081-B2 | Substituted fused pyrazole compounds and their use as LRRK2 inhibitors | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2021-04-13 | — | — | US | disclosed |