⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23284561 | 0.83 | — | — | |
| SCHEMBL23284484 | 0.75 | — | — | |
| SCHEMBL22595380 | 0.74 | DDAH1 (0.37) | — | |
| SCHEMBL23284889 | 0.72 | — | — | |
| SCHEMBL23284491 | 0.71 | — | — | |
| SCHEMBL19445970 | 0.71 | TDP1 (0.45) | — | |
| SCHEMBL21850174 | 0.69 | TDP1 (0.31) | — | |
| SCHEMBL23284720 | 0.69 | TDP1 (0.38) | — | |
| SCHEMBL19445955 | 0.68 | — | — | |
| SCHEMBL21850176 | 0.67 | — | — |
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-2638031-B1 | PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS | GENENTECH INC (US) | 2017-10-11 | — | — | EP | disclosed |