⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10884786 | 0.78 | — | — | |
| SCHEMBL3691615 | 0.73 | — | — | |
| SCHEMBL11207665 | 0.72 | — | — | |
| SCHEMBL3974969 | 0.72 | — | — | |
| SCHEMBL432042 | 0.70 | — | — | |
| SCHEMBL11286042 | 0.69 | — | — | |
| Carbon Tetrachloride SCHEMBL19464207 | 0.67 | ALDH1A1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL28034957 | 0.65 | — | — | |
| SCHEMBL392874 | 0.64 | — | — | |
| SCHEMBL10993753 | 0.64 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1397331-A2 | INHIBITION OF THE DEHYDROCHLORINATION REACTION OF POLYCHLORINATED ALKANES | Vulcan Chemicals (US) | 2004-03-17 | — | — | EP | claimed |
| US-6534688-B2 | Suppress the dehydrochlorination by heating in the presence of iron compound (III); storage stability | VULCAN CHEMICALS | 2003-03-18 | — | — | US | claimed |
| US-20030018225-A1 | Dehydrochlorination stabilization of polychlorinated alkanes | OCCIDENTAL CHEMICAL CORPORATION | 2003-01-23 | — | — | US | claimed |
| WO-2002100809-A2 | INBITION OF THE DEHYDROCHLORINATION REACTION OF POLYCHLORINATED ALKANES | VULCAN CHEMICALS (US) | 2002-12-19 | — | — | WO | claimed |
| 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 |
| EP-3774701-A1 | METHOD FOR THE PRODUCTION OF A HALOGENATED ALKENE BY CATALYZED DEHYDROHALOGENATION OF A HALOGENATED ALKANE | Blue Cube IP LLC (US) | 2021-02-17 | — | — | EP | 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 |
| WO-2019195250-A1 | METHOD FOR THE PRODUCTION OF A HALOGENATED ALKENE BY CATALYZED DEHYDROHALOGENATION OF A HALOGENATED ALKANE | BLUE CUBE IP LLC (US) | 2019-10-10 | — | — | WO | disclosed |
| EP-1397331-A2 | INHIBITION OF THE DEHYDROCHLORINATION REACTION OF POLYCHLORINATED ALKANES | Vulcan Chemicals (US) | 2004-03-17 | — | — | EP | disclosed |
| US-6534688-B2 | Suppress the dehydrochlorination by heating in the presence of iron compound (III); storage stability | VULCAN CHEMICALS | 2003-03-18 | — | — | US | disclosed |
| US-20030018225-A1 | Dehydrochlorination stabilization of polychlorinated alkanes | OCCIDENTAL CHEMICAL CORPORATION | 2003-01-23 | — | — | US | disclosed |
| WO-2002100809-A2 | INBITION OF THE DEHYDROCHLORINATION REACTION OF POLYCHLORINATED ALKANES | VULCAN CHEMICALS (US) | 2002-12-19 | — | — | WO | disclosed |