⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL644043 | 0.81 | — | — | |
| SCHEMBL22228978 | 0.81 | — | — | |
| SCHEMBL9354654 | 0.81 | — | — | |
| SCHEMBL216060 | 0.80 | — | — | |
| SCHEMBL14972657 | 0.79 | TSHR (0.30) | — | |
| SCHEMBL10687376 | 0.79 | — | — | |
| SCHEMBL4488255 | 0.79 | TSHR (0.43) | — | |
| SCHEMBL9512893 | 0.79 | — | — | |
| SCHEMBL609519 | 0.79 | TSHR (0.38) | — | |
| SCHEMBL28681494 | 0.79 | PRKCA (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021159021-A1 | LIPID PRODRUGS OF NEUROSTEROIDS | PURETECH LYT, INC. (US) | 2021-08-12 | — | — | WO | disclosed |