⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18764 | 0.93 | — | — | |
| Ammonia Solution, Strong SCHEMBL28412649 | 0.89 | — | — | |
| Fluoride SCHEMBL6364058 | 0.89 | — | — | |
| SCHEMBL8712085 | 0.89 | — | — | |
| Fluoromethane SCHEMBL28346221 | 0.86 | — | — | |
| Fluoride Ion SCHEMBL6364056 | 0.86 | — | — | |
| SCHEMBL7158922 | 0.83 | — | — | |
| SCHEMBL7938550 | 0.83 | — | — | |
| Apaflurane SCHEMBL1509786 | 0.80 | — | — | |
| SCHEMBL4163136 | 0.78 | ALDH1A1 (0.33) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1397332-B1 | WATER-ENHANCED PRODUCTION OF 1,1,1,3,3-PENTACHLOROPROPANE | BASIC CHEMICALS COMPANY LLC (US) | 2006-01-11 | — | — | EP | disclosed |
| EP-1328496-B1 | PROCESS FOR THE MANUFACTURE OF 1,1,1,3,3-PENTACHLOROPROPANE | VULCAN MATERIALS CO (US) | 2005-04-20 | — | — | EP | disclosed |
| EP-1397332-A2 | WATER-ENHANCED PRODUCTION OF 1,1,1,3,3-PENTACHLOROPROPANE | Vulcan Chemicals (US) | 2004-03-17 | — | — | EP | disclosed |
| US-20030149316-A1 | Separation of heavy ends from streams of halogenated alkanes | OCCIDENTAL CHEMICAL CORPORATION | 2003-08-07 | — | — | US | disclosed |
| EP-1328496-A1 | PROCESS FOR THE MANUFACTURE OF 1,1,1,3,3-PENTACHLOROPROPANE | Vulcan Materials Company (US) | 2003-07-23 | — | — | EP | disclosed |
| US-6552238-B1 | Introducing steam into bottom fraction, removing vapors and condensing | VULCAN CHEMICALS | 2003-04-22 | — | — | US | 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 |
| US-20030009066-A1 | WATER-ENHANCED PRODUCTION OF 1,1,1,3,3,-PENTACHLOROPROPANE | OCCIDENTAL CHEMICAL CORPORATION | 2003-01-09 | — | — | US | disclosed |
| US-6500995-B1 | BY THE REACTION OF CARBON TETRACHLORIDE AND VINYL CHLORIDE IN THE PRESENCE OF A CATALYST MIXTURE OF ORGANO PHOSPHATE SOLVENT, IRON METAL AND FERRIC CHLORIDE | VULCAN CHEMICALS | 2002-12-31 | — | — | US | disclosed |
| WO-2002102750-A2 | WATER-ENHANCED PRODUCTION OF 1,1,1,3,3-PENTACHLOROPROPANE | VULCAN CHEMICALS (US) | 2002-12-27 | — | — | WO | disclosed |
| WO-2002028806-A1 | PROCESS FOR THE MANUFACTURE OF 1,1,1,3,3-PENTACHLOROPROPANE | VULCAN MATERIALS COMPANY (US) | 2002-04-11 | — | — | WO | disclosed |
| US-6313360-B1 | Process for the manufacture of 1, 1, 1, 3, 3-pentachloropropane | VULCAN MATERIALS COMPANY | 2001-11-06 | — | — | US | disclosed |