⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11329967 | 0.75 | — | — | |
| SCHEMBL14787059 | 0.70 | — | — | |
| SCHEMBL793375 | 0.64 | — | — | |
| SCHEMBL19102833 | 0.62 | — | — | |
| SCHEMBL16301170 | 0.62 | — | — | |
| SCHEMBL15697846 | 0.62 | — | — | |
| SCHEMBL6242499 | 0.60 | — | — | |
| SCHEMBL14791334 | 0.59 | — | — | |
| SCHEMBL12241655 | 0.59 | — | — | |
| SCHEMBL10292569 | 0.58 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2571089-A1 | NON-AQUEOUS ELECTROLYTIC SOLUTION, AND NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY | Mitsubishi Chemical Corporation (JP) | 2013-03-20 | — | — | EP | disclosed |
| US-4052486-A | PROCESS FOR PREPARING CYCLIC PHOSPHINIC ACID ESTERS | HOECHST AKTIENGESELLSCHAFT (DT) | 1977-10-04 | — | — | US | disclosed |