⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL567382 | 0.91 | — | — | |
| SCHEMBL567105 | 0.84 | — | — | |
| SCHEMBL27934061 | 0.81 | — | — | |
| SCHEMBL567450 | 0.81 | KDM4E (0.34) | — | |
| SCHEMBL566424 | 0.81 | — | — | |
| SCHEMBL567583 | 0.81 | — | — | |
| SCHEMBL567413 | 0.80 | — | — | |
| SCHEMBL567488 | 0.79 | — | — | |
| SCHEMBL27934117 | 0.79 | — | — | |
| SCHEMBL567284 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120035210-A9 | 2,3-DIHYDROBENZO(1,4) DIOXIN-2-YLMETHYL DERIVATIVES AS ALPHA2C ANTAGONISTS FOR USE IN THE TREATMENT OF PERIPHERIC AND CENTRAL NERVOUS SYSTEME DISEASES | ORION CORPORATION (FI) | 2012-02-09 | — | — | US | disclosed |