⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4074072 | 1.00 | — | — | |
| SCHEMBL7222730 | 1.00 | — | — | |
| SCHEMBL4073054 | 0.98 | HTR6 (0.43) | — | |
| SCHEMBL4069566 | 0.92 | — | — | |
| SCHEMBL1181468 | 0.90 | HTR6 (0.40) | — | |
| SCHEMBL22628194 | 0.90 | HTR6 (0.40) | — | |
| SCHEMBL9388849 | 0.90 | HTR6 (0.40) | — | |
| SCHEMBL6817248 | 0.88 | HTR6 (0.39) | — | |
| SCHEMBL548524 | 0.88 | HTR6 (0.39) | — | |
| SCHEMBL5241137 | 0.88 | HTR6 (0.39) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6656930-B2 | Treatment of central nervous system (CNS) dysfunctions, neurodegenerative diseases and neurotoxic injury following hypoxia, anoxia or ischemia of stroke, cardiac arrest or perinatal asphyxia; antipsychotic and -convulsant agents | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES | 2003-12-02 | — | — | US | disclosed |
| US-20020045624-A1 | Aralkyl diaxabicycloalkane derivatives for CNS disorders | BOWEN WAYNE D (US) | 2002-04-18 | — | — | US | disclosed |
| US-6310064-B1 | ADMINISTERING TO TREAT CEREBRAL ISCHEMIA OR A PSYCHOTIC DISORDER | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE OF DEPARTMENT OF HEALTH AND HUMAN SERVICES | 2001-10-30 | — | — | US | disclosed |