⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6906143 | 0.72 | — | — | |
| SCHEMBL12570744 | 0.72 | — | — | |
| SCHEMBL28550006 | 0.70 | — | — | |
| SCHEMBL4650148 | 0.70 | — | — | |
| SCHEMBL22308091 | 0.70 | — | — | |
| SCHEMBL24667243 | 0.70 | — | — | |
| SCHEMBL27777052 | 0.70 | — | — | |
| SCHEMBL27724806 | 0.70 | — | — | |
| SCHEMBL28254431 | 0.70 | — | — | |
| SCHEMBL28176916 | 0.70 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103987698-B | 2-phenylaminopyrimidine derivatives as kinase LRRK2 modulators for the treatment of Parkinson's disease | HOFFMAN-LA ROCHE LTD. (CH) | 2016-04-20 | — | — | CN | disclosed |
| CN-102548981-B | N1-acyl-5-fluoropyrimidinone derivatives | DOW AGROSCIENCES LLC | 2015-05-13 | — | — | CN | disclosed |
| CN-103313978-B | Pyrazole aminopyrimidine derivatives as LRRK2 modulators | HOFFMANN LA ROCHE | 2015-04-15 | — | — | CN | disclosed |