⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31490352 | 1.00 | — | — | |
| SCHEMBL27128333 | 1.00 | — | — | |
| SCHEMBL30701789 | 1.00 | — | — | |
| SCHEMBL27029783 | 1.00 | — | — | |
| SCHEMBL19564567 | 0.73 | — | — | |
| SCHEMBL23275499 | 0.73 | SRD5A1 (0.39) | — | |
| SCHEMBL31375694 | 0.73 | SRD5A1 (0.39) | — | |
| SCHEMBL29134339 | 0.72 | SRD5A1 (0.32) | — | |
| SCHEMBL30014797 | 0.72 | SRD5A1 (0.32) | — | |
| SCHEMBL31056610 | 0.72 | KDM1A (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-117222645-A | Novel compound having inhibitory activity on glucosylceramide synthase or pharmaceutically acceptable salt thereof, process for producing the same, and pharmaceutical composition containing the same | 柳韩洋行 | 2023-12-12 | — | — | CN | disclosed |