⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19373078 | 1.00 | — | — | |
| SCHEMBL13284660 | 0.78 | — | — | |
| SCHEMBL5381991 | 0.77 | MEN1 (0.30) | — | |
| SCHEMBL5381985 | 0.77 | MEN1 (0.30) | — | |
| SCHEMBL13476634 | 0.77 | MEN1 (0.30) | — | |
| SCHEMBL5057412 | 0.75 | — | — | |
| SCHEMBL5057411 | 0.75 | — | — | |
| SCHEMBL19758117 | 0.75 | — | — | |
| SCHEMBL8418779 | 0.75 | — | — | |
| SCHEMBL14647818 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220178937-A1 | QUANTITATIVE DETERMINATION METHOD FOR Hex4, LYSO-GM1, Fuc-GlcNAc-Asn, AND LYSO-SULFATIDE INCLUDED IN CEREBROSPINAL FLUID | JCR PHARMACEUTICALS CO., LTD. (JP) | 2022-06-09 | — | — | US | disclosed |