⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15177776 | 0.71 | — | — | |
| SCHEMBL19264316 | 0.70 | — | — | |
| SCHEMBL12284027 | 0.69 | — | — | |
| SCHEMBL11277301 | 0.69 | — | — | |
| SCHEMBL18760863 | 0.69 | — | — | |
| SCHEMBL11261081 | 0.69 | — | — | |
| SCHEMBL20953361 | 0.67 | — | — | |
| SCHEMBL16647750 | 0.67 | — | — | |
| SCHEMBL21215071 | 0.67 | — | — | |
| SCHEMBL21918083 | 0.63 | — | — |
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-11667668-B2 | Compositions and methods for treating CNS disorders | SAGE THERAPEUTICS, INC. (US) | 2023-06-06 | — | — | US | disclosed |
| US-11241446-B2 | 19-nor C3, 3-disubstituted C21-N-pyrazolyl steroids and methods of use thereof | SAGE THERAPEUTICS, INC. (US) | 2022-02-08 | — | — | US | disclosed |
| US-20200155576-A1 | 19-NOR C3, 3-DISUBSTITUTED C21-N-PYRAZOLYL STEROIDS AND METHODS OF USE THEREOF | SAGE THERAPEUTICS, INC. | 2020-05-21 | — | — | US | disclosed |