⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20123985 | 0.74 | PDE10A (0.48) | — | |
| SCHEMBL20123932 | 0.57 | PDE10A (0.45) | — | |
| SCHEMBL16386043 | 0.54 | AGBL2 (0.59) | — | |
| SCHEMBL13250884 | 0.52 | AGBL2 (0.61) | — | |
| SCHEMBL23255878 | 0.51 | PTGS1 (0.35) | — | |
| SCHEMBL27347520 | 0.51 | PTGS1 (0.37) | — | |
| SCHEMBL23103609 | 0.49 | GRM2 (0.40) | — | |
| SCHEMBL14685176 | 0.49 | PDE10A (0.40) | — | |
| SCHEMBL23566852 | 0.49 | AGBL2 (0.51) | — | |
| SCHEMBL22842950 | 0.48 | AGBL2 (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 |
|---|---|---|---|---|---|---|---|
| EP-3318561-A1 | HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF | Sunovion Pharmaceuticals Inc. (US) | 2018-05-09 | — | — | EP | disclosed |