⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4588467 | 0.80 | GABBR1 (0.32) | — | |
| SCHEMBL4586819 | 0.73 | GABBR2 (0.37) | — | |
| SCHEMBL4585698 | 0.73 | GABBR2 (0.41) | — | |
| SCHEMBL4264433 | 0.68 | — | — | |
| SCHEMBL6283764 | 0.66 | NFKB1 (0.40) | — | |
| SCHEMBL4588027 | 0.66 | PPM1D (0.35) | — | |
| SCHEMBL4585667 | 0.66 | — | — | |
| SCHEMBL4588472 | 0.65 | — | — | |
| SCHEMBL31590613 | 0.64 | GABBR2 (0.38) | — | |
| SCHEMBL31362616 | 0.64 | GABRR1 (0.38) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1458669-A4 | NEUOROLOGICALLY-ACTIVE COMPOUNDS | UNIV SYDNEY (AU) | 2008-10-29 | — | — | EP | disclosed |
| US-6962907-B2 | Neurologically-active compounds | THE UNIVERSITY OF SYDNEY (AU) | 2005-11-08 | — | — | US | disclosed |
| US-20050004083-A1 | Neurologically-active compounds | NEURO THERAPEUTICS LIMITED (AU) | 2005-01-06 | — | — | US | disclosed |
| EP-1458669-A1 | NEUOROLOGICALLY-ACTIVE COMPOUNDS | THE UNIVERSITY OF SYDNEY (AU) | 2004-09-22 | — | — | EP | disclosed |
| WO-2003045897-A1 | NEOROLOGICALLY-ACTIVE COMPOUNDS | UNIVERSITY OF SYDNEY (AU) | 2003-06-05 | — | — | WO | disclosed |