⚠ 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 | |
|---|---|---|---|---|
| Cyclopentane SCHEMBL7855277 | 1.00 | — | — | |
| Phosphonic Acid SCHEMBL10902983 | 1.00 | — | — | |
| Phosphonic Acid SCHEMBL10933095 | 1.00 | — | — | |
| Phosphonic Acid SCHEMBL472862 | 1.00 | — | — | |
| Phosphonic Acid SCHEMBL9683235 | 1.00 | — | — | |
| Phosphonic Acid SCHEMBL17868798 | 0.96 | — | — | |
| Cyclopentane SCHEMBL9781558 | 0.96 | — | — | |
| Phosphonic Acid SCHEMBL9242963 | 0.91 | — | — | |
| Cyclohexane SCHEMBL6577579 | 0.91 | — | — | |
| Phosphonic Acid SCHEMBL22418368 | 0.91 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106380482-A | A method of purifying triethylene tetraamine hexamethylene phosphonic acid | 中国工程物理研究院核物理与化学研究所 | 2017-02-08 | — | — | CN | disclosed |
| CN-106380482-A | A method of purifying triethylene tetraamine hexamethylene phosphonic acid | 中国工程物理研究院核物理与化学研究所 | 2017-02-08 | — | — | CN | disclosed |
| US-7901665-B2 | Conjugated macromolecules | GENERAL ELECTRIC COMPANY (US) | 2011-03-08 | — | — | US | disclosed |
| US-20070122346-A1 | Conjugated macromolecules | GENERAL ELECTRIC COMPANY | 2007-05-31 | — | — | US | disclosed |