⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL567676 | 0.88 | — | — | |
| SCHEMBL566816 | 0.87 | — | — | |
| SCHEMBL566567 | 0.84 | — | — | |
| SCHEMBL567730 | 0.83 | — | — | |
| SCHEMBL27934117 | 0.78 | — | — | |
| SCHEMBL567550 | 0.78 | — | — | |
| SCHEMBL566884 | 0.77 | — | — | |
| SCHEMBL27934061 | 0.77 | — | — | |
| SCHEMBL567488 | 0.76 | — | — | |
| SCHEMBL567707 | 0.73 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2176252-A1 | 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) | 2010-04-21 | — | — | EP | disclosed |
| WO-2009013390-A1 | 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) | 2009-01-29 | — | — | WO | disclosed |