⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11261081 | 0.74 | — | — | |
| SCHEMBL18760863 | 0.74 | — | — | |
| SCHEMBL11277301 | 0.74 | — | — | |
| SCHEMBL19264316 | 0.70 | — | — | |
| SCHEMBL20243798 | 0.69 | — | — | |
| SCHEMBL20031857 | 0.69 | — | — | |
| SCHEMBL19264505 | 0.69 | — | — | |
| SCHEMBL10106230 | 0.67 | — | — | |
| SCHEMBL14697754 | 0.67 | — | — | |
| SCHEMBL22018184 | 0.67 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20190233465-A1 | C7, C12, AND C16 SUBSTITUTED NEUROACTIVE STEROIDS AND THEIR METHODS OF USE | SAGE THERAPEUTICS, INC. (US) | 2019-08-01 | — | — | US | disclosed |