⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8458386 | 0.65 | — | — | |
| SCHEMBL6674901 | 0.62 | PNMT (0.49) | — | |
| SCHEMBL8459849 | 0.61 | — | — | |
| SCHEMBL10998120 | 0.60 | PNMT (0.42) | — | |
| SCHEMBL1611366 | 0.60 | PNMT (0.46) | — | |
| SCHEMBL8458450 | 0.60 | EBP (0.32) | — | |
| SCHEMBL27558729 | 0.60 | PNMT (0.46) | — | |
| SCHEMBL9449677 | 0.59 | PNMT (0.44) | — | |
| SCHEMBL21436821 | 0.59 | NPC1 (0.47) | — | |
| SCHEMBL30533158 | 0.59 | NPC1 (0.47) | — |
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-5886177-A | ETHYLENE GLYCOL MONOMERS JOINED VIA STANDARD PHOSPHATE LINKAGES INCLUDING PHOSPHOROTHIOATE, PHOSPHODIESTER, AND PHOSPHORAMIDATE LINKAGES; USEFUL FUNCTIONAL GROUPS INCLUDE NUCLEOBASES AS WELL AS POLAR GROUPS, HYDROPHOBIC GROUPS | ISIS PHARMACEUTICALS, INC. (US) | 1999-03-23 | — | — | US | disclosed |