⚠ 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 | |
|---|---|---|---|---|
| Phosphonic Acid SCHEMBL15832838 | 1.00 | — | — | |
| Phosphonic Acid SCHEMBL27483204 | 0.96 | — | — | |
| Phosphonic Acid SCHEMBL296324 | 0.96 | LMNA (0.31) | — | |
| Phosphonic Acid SCHEMBL27818559 | 0.79 | — | — | |
| Butadiene SCHEMBL2811012 | 0.78 | — | — | |
| Phosphonic Acid SCHEMBL32665725 | 0.77 | — | — | |
| Phosphonic Acid SCHEMBL17187042 | 0.77 | — | — | |
| SCHEMBL632794 | 0.76 | — | — | |
| SCHEMBL27531997 | 0.76 | — | — | |
| Phosphonic Acid SCHEMBL8679396 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8063010-B2 | Solid detergent composition and methods for manufacturing and using | ECOLAB USA INC. (US) | 2011-11-22 | — | — | US | disclosed |
| US-20060025325-A1 | Solid detergent composition and methods for manufacturing and using | ECOLAB USA INC. | 2006-02-02 | — | — | US | disclosed |