⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7023666 | 0.54 | — | — | |
| SCHEMBL18827249 | 0.51 | — | — | |
| SCHEMBL9577991 | 0.47 | — | — | |
| SCHEMBL11161592 | 0.47 | — | — | |
| SCHEMBL13154392 | 0.46 | — | — | |
| SCHEMBL9681866 | 0.46 | — | — | |
| SCHEMBL6622603 | 0.46 | — | — | |
| SCHEMBL3867103 | 0.46 | — | — | |
| SCHEMBL384210 | 0.45 | DRD2 (0.52) | — | |
| SCHEMBL4159618 | 0.45 | — | — |
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-3107898-B1 | 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS | TAKEDA PHARMACEUTICALS CO (JP) | 2021-01-06 | — | — | EP | disclosed |