⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16786189 | 1.00 | — | — | |
| SCHEMBL20115478 | 0.77 | — | — | |
| SCHEMBL19501035 | 0.76 | — | — | |
| SCHEMBL19501041 | 0.76 | CES2 (0.31) | — | |
| SCHEMBL19501031 | 0.76 | — | — | |
| SCHEMBL12868906 | 0.76 | SLC7A5 (0.31) | — | |
| SCHEMBL19501040 | 0.76 | CES2 (0.31) | — | |
| SCHEMBL810589 | 0.74 | — | — | |
| SCHEMBL12868835 | 0.74 | — | — | |
| SCHEMBL8532247 | 0.72 | — | — |
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-20230192756-A1 | NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF | Sage Therapeutics, LLC | 2023-06-22 | — | — | US | disclosed |
| US-20160022701-A1 | NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF | SAGE THERAPEUTICS INC (US) | 2016-01-28 | — | — | US | disclosed |
| US-20150158903-A1 | NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF | SAGE THERAPEUTICS, INC. (US) | 2015-06-11 | — | — | US | disclosed |