⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8829098 | 0.80 | — | — | |
| SCHEMBL6050502 | 0.74 | SLC6A1 (0.33) | — | |
| SCHEMBL11196042 | 0.71 | SLC6A1 (0.30) | — | |
| SCHEMBL264764 | 0.70 | — | — | |
| SCHEMBL264006 | 0.70 | — | — | |
| SCHEMBL27701175 | 0.70 | GSR (0.31) | — | |
| SCHEMBL8795601 | 0.70 | — | — | |
| SCHEMBL5573071 | 0.69 | — | — | |
| SCHEMBL1192805 | 0.68 | GSR (0.38) | — | |
| SCHEMBL62178 | 0.68 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1280794-B1 | DIAZACYCLOALKANE DERIVATIVES AS BLEACH CATALYST AND COMPOSITION AND METHOD FOR BLEACHING A SUBSTRATE | UNILEVER PLC (GB) | 2006-07-05 | — | — | EP | disclosed |
| US-6537959-B2 | Diazacycloalkanes, i.e., 1,4,6-trimethyl-6-(n-(pyridin-2-ylmethyl)-N-methylamino)-1,4 -diazacycloheptane; ligands in manganese, iron and cobalt transition metal complexes. | UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. | 2003-03-25 | — | — | US | disclosed |
| EP-1280794-A1 | DIAZACYCLOALKANE DERIVATIVES AS BLEACH CATALYST AND COMPOSITION AND METHOD FOR BLEACHING A SUBSTRATE | UNILEVER PLC (GB) | 2003-02-05 | — | — | EP | disclosed |
| US-20020049148-A1 | Bleach catalyst and composition and method for bleaching a substrate | UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. | 2002-04-25 | — | — | US | disclosed |
| WO-2001085717-A1 | DIAZACYCLOALKANE DERIVATIVES AS BLEACH CATALYST AND COMPOSITION AND METHOD FOR BLEACHING A SUBSTRATE | UNILEVER PLC (GB) | 2001-11-15 | — | — | WO | disclosed |