⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1059659 | 0.71 | — | — | |
| SCHEMBL14137198 | 0.69 | — | — | |
| SCHEMBL37448 | 0.67 | — | — | |
| SCHEMBL169861 | 0.61 | — | — | |
| SCHEMBL8874612 | 0.60 | — | — | |
| SCHEMBL4725494 | 0.58 | — | — | |
| SCHEMBL10444173 | 0.58 | — | — | |
| SCHEMBL235078 | 0.56 | — | — | |
| SCHEMBL14746882 | 0.54 | — | — | |
| SCHEMBL10818226 | 0.52 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7064116-B2 | GABAA modulating neurosteroids | CALOGEROPOULOU THEODORA | 2006-06-20 | — | — | US | disclosed |
| US-20050176976-A1 | GABA a modulating neurosteroids | CALOGEROPOULOU THEODORA (GR) | 2005-08-11 | — | — | US | disclosed |