⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8460922 | 0.84 | DUT (0.42) | — | |
| SCHEMBL8460047 | 0.81 | TK2 (0.45) | — | |
| SCHEMBL8458487 | 0.80 | LTA4H (0.37) | — | |
| SCHEMBL8460546 | 0.78 | TAAR1 (0.35) | — | |
| SCHEMBL8458624 | 0.77 | TAAR1 (0.34) | — | |
| SCHEMBL8459849 | 0.75 | — | — | |
| SCHEMBL8461363 | 0.74 | — | — | |
| SCHEMBL8458450 | 0.65 | EBP (0.32) | — | |
| SCHEMBL8460997 | 0.65 | — | — | |
| SCHEMBL7149083 | 0.63 | — | — |
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 |