⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18721603 | 1.00 | — | — | |
| SCHEMBL16786184 | 1.00 | — | — | |
| SCHEMBL24241417 | 0.85 | — | — | |
| SCHEMBL13465083 | 0.82 | — | — | |
| SCHEMBL7865275 | 0.80 | — | — | |
| SCHEMBL25697814 | 0.79 | — | — | |
| SCHEMBL23776876 | 0.78 | — | — | |
| SCHEMBL27374642 | 0.78 | — | — | |
| SCHEMBL19155761 | 0.77 | RIPK1 (0.39) | — | |
| SCHEMBL23394781 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230218638-A1 | NEUROACTIVE COMPOUNDS AND METHODS OF USE THEREOF | SAGE THERAPEUTICS, INC. | 2023-07-13 | — | — | US | disclosed |
| US-20230192756-A1 | NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF | Sage Therapeutics, LLC | 2023-06-22 | — | — | US | disclosed |
| US-20170304321-A1 | NEUROACTIVE COMPOUNDS AND METHODS OF USE THEREOF | SAGE THERAPEUTICS INC (US) | 2017-10-26 | — | — | 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 |