⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1276531 | 1.00 | — | — | |
| SCHEMBL24979273 | 0.94 | — | — | |
| SCHEMBL450370 | 0.78 | — | — | |
| SCHEMBL4199606 | 0.75 | — | — | |
| SCHEMBL11884042 | 0.74 | TSHR (0.50) | — | |
| SCHEMBL2429313 | 0.74 | TSHR (0.30) | — | |
| SCHEMBL2429315 | 0.74 | TSHR (0.30) | — | |
| SCHEMBL25888748 | 0.72 | CYP3A4 (0.31) | — | |
| SCHEMBL23509977 | 0.72 | — | — | |
| SCHEMBL17319428 | 0.72 | CYP3A4 (0.31) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7268262-B2 | Method for recovering trans-1,2-dichloroethene | PPG INDUSTRIES OHIO, INC. (US) | 2007-09-11 | — | — | US | disclosed |
| EP-1740519-A1 | METHOD FOR RECOVERING TRANS-1,2-DICHLOROETHENE | PPG Industries Ohio, Inc. (US) | 2007-01-10 | — | — | EP | disclosed |
| WO-2005110954-A1 | METHOD FOR RECOVERING TRANS-1,2-DICHLOROETHENE | PPG INDUSTRIES OHIO, INC. (US) | 2005-11-24 | — | — | WO | disclosed |
| US-20050245775-A1 | Method for recovering trans-1,2-dichloroethene | EAGLE US 2 LLC | 2005-11-03 | — | — | US | disclosed |
| US-20040030203-A1 | Method of stabilizing trichloroethane during production | PPG INDUSTRIES OHIO, INC. | 2004-02-12 | — | — | US | disclosed |
| US-6150573-A | Concurrent production of trichloroethane isomers | PPG INDUSTRIES OHIO, INC. (US) | 2000-11-21 | — | — | US | disclosed |
| US-5731482-A | Method for purifying perchloroethylene containing dichlorobutadiene | PPG INDUSTRIES, INC. (US) | 1998-03-24 | — | — | US | disclosed |
| US-5315052-A | Concurrent production of trichloroethane isomers | PPG INDUSTRIES, INC. (US) | 1994-05-24 | — | — | US | disclosed |
| US-5298646-A | Introducing molecular chlorine to stripping zone, contacting ethyl chloroformate in rectifying zone, condensation, refluxing, removal of gaseous phase | PPG INDUSTRIES, INC. (US) | 1994-03-29 | — | — | US | disclosed |
| US-5051536-A | Using a free radical catalyst to form cis-, trans-isomers | PPG INDUSTRIES, INC. (US) | 1991-09-24 | — | — | US | disclosed |
| EP-0205096-A2 | Process for producing silicon containing polymers having comb-shape structure | SUNSTAR GIKEN KABUSHIKI KAISHA (JP) | 1986-12-17 | — | — | EP | disclosed |