⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL351093 | 1.00 | — | — | |
| SCHEMBL6682736 | 1.00 | — | — | |
| SCHEMBL2378842 | 0.71 | — | — | |
| SCHEMBL10439717 | 0.71 | — | — | |
| SCHEMBL440356 | 0.69 | — | — | |
| SCHEMBL8928319 | 0.69 | — | — | |
| SCHEMBL2389253 | 0.69 | — | — | |
| SCHEMBL2388131 | 0.69 | — | — | |
| SCHEMBL341079 | 0.69 | — | — | |
| SCHEMBL2389182 | 0.67 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120016021-A1 | METHODS OF TREATING FRAGILE X SYNDROME, DOWN'S SYNDROME, AUTISM AND RELATED DISORDERS | XENOPORT, INC. (US) | 2012-01-19 | — | — | US | disclosed |
| WO-2012009646-A1 | METHODS OF TREATING FRAGILE X SYNDROME, DOWN'S SYNDROME, AUTISM AND RELATED DISORDERS | XENOPORT, INC. (US) | 2012-01-19 | — | — | WO | disclosed |
| EP-1000071-B1 | GABA-C RECEPTOR ANTAGONISTS FOR STIMULATING MEMORY CAPACITY | POLYCHIP PHARMACEUTICALS PTY (AU) | 2004-11-17 | — | — | EP | disclosed |
| US-6632806-B1 | Administering compound having selective GABAc receptor antagonist activity | THE UNIVERSITY OF SYDNEY (AU) | 2003-10-14 | — | — | US | disclosed |