⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5150945 | 0.69 | — | — | |
| SCHEMBL5156569 | 0.69 | — | — | |
| SCHEMBL5157021 | 0.69 | — | — | |
| SCHEMBL5150980 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL28771801 | 0.67 | — | — | |
| SCHEMBL5039885 | 0.65 | BACE1 (0.39) | — | |
| SCHEMBL5157995 | 0.64 | — | — | |
| SCHEMBL5154280 | 0.64 | — | — | |
| SCHEMBL5154542 | 0.62 | GPR35 (0.46) | — | |
| SCHEMBL5493304 | 0.62 | IKBKB (0.40) | — |
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-2968995-B1 | INHIBITORS OF LRRK2 KINASE ACTIVITY | ELAN PHARMACEUTICALS LLC (US) | 2018-05-09 | — | — | EP | disclosed |