⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL423307 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL27746574 | 0.97 | NOS3 (0.50) | — | |
| SCHEMBL29427127 | 0.79 | — | — | |
| SCHEMBL30017969 | 0.79 | — | — | |
| SCHEMBL165105 | 0.79 | — | — | |
| SCHEMBL153364 | 0.79 | — | — | |
| SCHEMBL221321 | 0.75 | — | — | |
| SCHEMBL1156177 | 0.75 | — | — | |
| SCHEMBL22564750 | 0.75 | — | — | |
| SCHEMBL20544775 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3898646-B1 | 3.ALPHA.-HYDROXY-17.BETA.-AMIDE NEUROACTIVE STEROIDS AND COMPOSITIONS THEREOF | SAGE THERAPEUTICS LLC (US) | 2026-02-18 | — | — | EP | disclosed |
| CN-112236423-B | Piperidinyl-3- (aryloxy) propanamides and propionic acid esters | 武田药品工业株式会社 | 2024-02-06 | — | — | CN | disclosed |
| US-20220372067-A1 | 3.ALPHA.-HYDROXY-17.BETA.-AMIDE NEUROACTIVE STEROIDS AND COMPOSITIONS THEREOF | SAGE THERAPEUTICS, INC. | 2022-11-24 | — | — | US | disclosed |