⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23420150 | 0.87 | ALDH1A1 (0.33) | — | |
| SCHEMBL22013186 | 0.77 | ALDH1A1 (0.30) | — | |
| SCHEMBL2486901 | 0.76 | — | — | |
| SCHEMBL22348946 | 0.74 | — | — | |
| SCHEMBL11332093 | 0.73 | ALDH1A1 (0.44) | — | |
| SCHEMBL23902131 | 0.70 | — | — | |
| SCHEMBL23901745 | 0.67 | LMNA (0.33) | — | |
| SCHEMBL23902049 | 0.67 | LMNA (0.33) | — | |
| SCHEMBL23901737 | 0.67 | LMNA (0.33) | — | |
| SCHEMBL20119101 | 0.67 | MEN1 (0.32) | — |
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-2023086432-A1 | PRODRUGS OF NEUROSTEROID ANALOGS AND USES THEREOF | EMORY UNIVERSITY (US) | 2023-05-19 | — | — | WO | disclosed |