⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5666299 | 0.79 | — | — | |
| SCHEMBL28272237 | 0.76 | — | — | |
| SCHEMBL3691615 | 0.71 | — | — | |
| Fluoride SCHEMBL27206897 | 0.69 | — | — | |
| Methane SCHEMBL28000160 | 0.69 | — | — | |
| SCHEMBL6525302 | 0.69 | — | — | |
| SCHEMBL4730261 | 0.69 | — | — | |
| SCHEMBL6058221 | 0.67 | — | — | |
| SCHEMBL6058222 | 0.67 | — | — | |
| Fluoride Ion SCHEMBL27195622 | 0.67 | — | — |
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-11358918-B2 | Method for the production of a halogenated alkene by catalyzed dehydrohalogenation of a halogenated alkane | BLUE CUBE IP LLC (US) | 2022-06-14 | — | — | US | disclosed |
| US-20210002191-A1 | METHOD FOR THE PRODUCTION OF A HALOGENATED ALKENE BY CATALYZED DEHYDROHALOGENATION OF A HALOGENATED ALKANE | BLUE CUBE IP LLC (US) | 2021-01-07 | — | — | US | disclosed |
| US-6720466-B2 | A two-stage distillation process for economically producing 1,1,1,3,3-pentachloroprpane by reacting carbon tetrachloride and vinyl chloride under conditions which preserve the activity of the catalyst | Vulcan Chemicals, a division of Vulcan Materials Company | 2004-04-13 | — | — | US | disclosed |