⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL439693 | 0.95 | — | — | |
| SCHEMBL438216 | 0.91 | — | — | |
| Ammonia Solution, Strong SCHEMBL441425 | 0.91 | — | — | |
| SCHEMBL439180 | 0.91 | — | — | |
| Ammonia Solution, Strong SCHEMBL441424 | 0.91 | — | — | |
| SCHEMBL28156419 | 0.91 | — | — | |
| Ethylene SCHEMBL6932669 | 0.87 | — | — | |
| SCHEMBL4658274 | 0.81 | — | — | |
| SCHEMBL2519667 | 0.78 | — | — | |
| SCHEMBL345435 | 0.78 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120064790-A1 | Ethylene Diphosphinic Acids | CLARIANT FINANCE (BVI) LIMITED (VG) | 2012-03-15 | — | — | US | disclosed |
| US-8084518-B2 | Ethylenebis(hydroxyalkylphosphinic acid) and salts thereof | CLARIANT FINANCE (BVI) LIMITED (VG) | 2011-12-27 | — | — | US | disclosed |
| US-20100093239-A1 | Ethylene Diphosphinic Acids | CLARIANT INTERNATIONAL LTD. (CH) | 2010-04-15 | — | — | US | disclosed |