⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22873617 | 0.81 | SHBG (0.30) | — | |
| SCHEMBL22873561 | 0.79 | — | — | |
| SCHEMBL23219915 | 0.77 | KDM4E (0.39) | — | |
| SCHEMBL23219903 | 0.74 | IDH1 (0.33) | — | |
| SCHEMBL20437974 | 0.73 | — | — | |
| SCHEMBL22753146 | 0.73 | KDM4E (0.31) | — | |
| SCHEMBL22873724 | 0.70 | — | — | |
| SCHEMBL22753177 | 0.70 | MEN1 (0.36) | — | |
| SCHEMBL19772299 | 0.69 | MAPT (0.31) | — | |
| SCHEMBL18399322 | 0.67 | RXRA (0.46) | — |
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 |