⚠ 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 | |
|---|---|---|---|---|
| Vinyl Chloride SCHEMBL11648718 | 0.94 | — | — | |
| Vinyl Chloride SCHEMBL11619051 | 0.94 | — | — | |
| Vinyl Chloride SCHEMBL11098476 | 0.89 | — | — | |
| Vinyl Chloride SCHEMBL11543932 | 0.89 | — | — | |
| Vinyl Chloride SCHEMBL11235124 | 0.88 | — | — | |
| Vinyl Chloride SCHEMBL1695300 | 0.87 | — | — | |
| Vinyl Chloride SCHEMBL15057 | 0.87 | — | — | |
| Vinyl Chloride SCHEMBL2463034 | 0.87 | — | — | |
| Vinyl Chloride SCHEMBL27579191 | 0.87 | ALDH1A1 (0.38) | — | |
| Vinyl Chloride SCHEMBL8198759 | 0.82 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101389664-B | Copper removal from ATRP products by means of addition of sulfur compounds | EVONIK ROEHM GMBH | 2011-09-07 | — | — | CN | disclosed |
| CN-101389664-A | Copper removal from ATRP products by means of addition of sulfur compounds | EVONIK ROEHM GMBH (DE) | 2009-03-18 | — | — | CN | disclosed |
| CN-1391544-A | Process for the manufacture of vinyl chloride from ethane ethylene with secondary reaction consumption of hydrogen chloride in the reactor effluent stream | DOW CHEMICAL CO (US) | 2003-01-15 | — | — | CN | disclosed |
| US-4467127-A | VINYL CHLORIDE FROM ETHANE USING A SOLID SOLUTION CATALYST OF ALUMINUM, BARIUM, CERIUM AND IRON; | THE B. F. GOODRICH COMPANY (US) | 1984-08-21 | — | — | US | disclosed |
| US-4461919-A | Process for the oxychlorination of an alkane using a solid solution catalyst containing iron cations | THE B. F. GOODRICH COMPANY (US) | 1984-07-24 | — | — | US | disclosed |
| US-4375569-A | Process for the oxychlorination of an alkane using a solid solution catalyst containing iron cations | THE B. F. GOODRICH COMPANY (US) | 1983-03-01 | — | — | US | disclosed |
| US-4119570-A | Solid solution catalyst containing iron cations for the oxychlorination of an alkane | THE B. F. GOODRICH COMPANY (US) | 1978-10-10 | — | — | US | disclosed |