⚠ 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 SCHEMBL27285187 | 0.94 | — | — | |
| Vinyl Chloride SCHEMBL8205918 | 0.89 | — | — | |
| Vinyl Chloride SCHEMBL11090485 | 0.88 | — | — | |
| Vinyl Chloride SCHEMBL2463034 | 0.87 | — | — | |
| Vinyl Chloride SCHEMBL15057 | 0.87 | — | — | |
| Vinyl Chloride SCHEMBL1695300 | 0.87 | — | — | |
| Vinyl Chloride SCHEMBL27579191 | 0.87 | ALDH1A1 (0.38) | — | |
| Vinyl Chloride SCHEMBL11648718 | 0.82 | — | — | |
| Carbon Tetrachloride SCHEMBL11422639 | 0.82 | — | — | |
| Vinyl Chloride SCHEMBL11619051 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9999160-B1 | Method and system for air contamination analysis for free air cooled data centers | EMC CORPORATION (US) | 2018-06-12 | — | — | US | disclosed |
| CN-104529693-A | Method for preparing vinyl chloride monomer by using methane chloride | YIBIN TIANYUAN GROUP CO LTD | 2015-04-22 | — | — | CN | disclosed |
| CN-104402669-A | Method of using chloromethane to prepare vinyl chloride monomer | YIBIN TIANYUAN GROUP CO LTD | 2015-03-11 | — | — | CN | disclosed |
| US-4361911-A | Laser retroreflector system for identification of friend or foe | THE UNITED STATES OF AMERICAN AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1982-11-30 | — | — | US | disclosed |
| US-3899399-A | Recovery of high purity vinyl chloride by distillation | LUMMUS CO | 1975-08-12 | — | — | US | disclosed |