⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2812497 | 0.82 | — | — | |
| SCHEMBL27880014 | 0.77 | — | — | |
| SCHEMBL1674877 | 0.77 | LPAR2 (0.34) | — | |
| SCHEMBL27548708 | 0.73 | BTN3A1 (0.36) | — | |
| Benzene SCHEMBL28290985 | 0.73 | — | — | |
| SCHEMBL7457883 | 0.70 | — | — | |
| SCHEMBL10425332 | 0.70 | — | — | |
| SCHEMBL1574256 | 0.70 | FNTA (0.32) | — | |
| SCHEMBL2846018 | 0.69 | — | — | |
| SCHEMBL1138036 | 0.69 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2553026-B1 | METAL OXIDE PARTICLES AFTER-TREATED WITH ORGANIC PHOSPHORUS COMPOUNDS | MERCK PATENT GMBH (DE) | 2018-03-28 | — | — | EP | claimed |
| EP-0076166-B1 | BLEACH COMPOSITION | Interox Chemicals Limited (GB) | 1987-02-04 | — | — | EP | claimed |
| EP-1690961-B1 | ALKALI CLEANING FLUID FOR ALUMINUM OR ALUMINUM ALLOYS AND METHOD OF CLEANING | NIHON PARKERIZING (JP) | 2014-11-05 | — | — | EP | disclosed |
| US-20130011350-A1 | METAL OXIDE PARTICLES AFTERTREATED WITH ORGANIC PHOSPHORUS COMPOUNDS | SACHTLEBEN CHEMIE GMBH (DE) | 2013-01-10 | — | — | US | disclosed |
| US-7709435-B2 | Alkaline cleaning liquid comprising metallic ions for aluminum or aluminum alloys and method of cleaning | NIHON PARKERIZING CO., LTD. (JP) | 2010-05-04 | — | — | US | disclosed |
| US-20070184997-A1 | Alkaline cleaning liquid for aluminum or aluminum alloys and method of cleaning | NIHON PARKERIZING CO., LTD. (JP) | 2007-08-09 | — | — | US | disclosed |
| EP-1690961-A1 | ALKALI CLEANING FLUID FOR ALUMINUM OR ALUMINUM ALLOYS AND METHOD OF CLEANING | NIHON PARKERIZING CO., LTD. (JP) | 2006-08-16 | — | — | EP | disclosed |
| US-4762649-A | WATER TREATMENT, ANTISCALING, ANTICORROSION | MONSANTO COMPANY (US) | 1988-08-09 | — | — | US | disclosed |
| US-4719031-A | ANTISCALE | MONSANTO COMPANY (US) | 1988-01-12 | — | — | US | disclosed |
| US-4663432-A | ANTISCALING, CORROSION RESISTANCE | MONSANTO COMPANY (US) | 1987-05-05 | — | — | US | disclosed |