⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL944592 | 0.86 | — | — | |
| SCHEMBL944650 | 0.84 | SCN4A (0.32) | — | |
| SCHEMBL944604 | 0.77 | SCN4A (0.32) | — | |
| SCHEMBL6354293 | 0.68 | TSHR (0.35) | — | |
| SCHEMBL14524295 | 0.65 | TSHR (0.37) | — | |
| SCHEMBL21472699 | 0.65 | RAPGEF4 (0.40) | — | |
| SCHEMBL5729221 | 0.63 | TSHR (0.35) | — | |
| SCHEMBL6355236 | 0.63 | RAPGEF4 (0.39) | — | |
| SCHEMBL110348 | 0.63 | KRAS (0.40) | — | |
| Bromide SCHEMBL25371853 | 0.61 | RAPGEF4 (0.42) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7875753-B2 | formed by reacting aryldiazonium bromide with vinylidene chloride in presence of copper salt and bromide source | BAYER CROPSCIENCE AG (DE) | 2011-01-25 | — | — | US | disclosed |
| WO-2010105739-A1 | AROMATIC 2-BROMO-2,2-DICHLOROETHYL COMPOUNDS AND METHODS FOR THE PRODUCTION THEREOF | BAYER CROPSCIENCE AG (DE) | 2010-09-23 | — | — | WO | disclosed |
| US-20100234651-A1 | 2-Bromo-2,2-Dichloroethyl Aromatics and Process for Preparation Thereof | BAYER CROPSCIENCE AG (DE) | 2010-09-16 | — | — | US | disclosed |