⚠ 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 | |
|---|---|---|---|---|
| 1,2-Dibromoethane SCHEMBL4175565 | 1.00 | — | — | |
| 1,2-Dibromoethane SCHEMBL1698 | 0.91 | — | — | |
| 1,2-Dibromoethane SCHEMBL10589569 | 0.91 | — | — | |
| 1,2-Dibromoethane SCHEMBL11362087 | 0.83 | — | — | |
| 1,2-Dibromoethane SCHEMBL11706433 | 0.83 | — | — | |
| 1,2-Dibromoethane SCHEMBL2645474 | 0.83 | — | — | |
| 1,2-Dibromoethane SCHEMBL9067867 | 0.83 | — | — | |
| 1,2-Dibromoethane SCHEMBL9053813 | 0.77 | TSHR (0.71) | — | |
| 1,2-Dibromoethane SCHEMBL8713121 | 0.77 | — | — | |
| 1,2-Dibromoethane SCHEMBL9054556 | 0.77 | TSHR (0.71) | — |
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-8278112-B2 | reconstitute nucleosomes with site-specific mono, di- and trimethylation; (2-chloroethyl)-dimethylammonium chloride; (2-bromoethyl) ammonium bromide; assaying effect of methylation by nucleosome remodeling or octomer reconstitution | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2012-10-02 | — | — | US | disclosed |
| US-20080199964-A1 | SITE-SPECIFIC INSTALLATION OF METHYL-LYSINE ANALOGUES INTO RECOMBINANT HISTONES | REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2008-08-21 | — | — | US | disclosed |