⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL474984 | 0.70 | HPGD (0.34) | — | |
| SCHEMBL15650721 | 0.70 | LRRK2 (0.44) | — | |
| SCHEMBL17076886 | 0.69 | LRRK2 (0.34) | — | |
| SCHEMBL15651927 | 0.67 | LRRK2 (0.47) | — | |
| SCHEMBL18455087 | 0.66 | — | — | |
| SCHEMBL17076907 | 0.64 | LRRK2 (0.40) | — | |
| SCHEMBL20555210 | 0.63 | CYP4F2 (0.36) | — | |
| SCHEMBL15651443 | 0.62 | OPRK1 (0.36) | — | |
| SCHEMBL20555776 | 0.61 | RET (0.31) | — | |
| SCHEMBL20555535 | 0.61 | — | — |
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-2844652-B1 | PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS | GENENTECH INC (US) | 2019-03-13 | — | — | EP | disclosed |