⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL759355 | 0.65 | — | — | |
| SCHEMBL4862504 | 0.65 | ALDH1A1 (0.32) | — | |
| Pentachloroethane SCHEMBL11500966 | 0.62 | TSHR (0.50) | — | |
| SCHEMBL1614733 | 0.60 | — | — | |
| SCHEMBL30875997 | 0.60 | — | — | |
| SCHEMBL155464 | 0.60 | — | — | |
| SCHEMBL5575210 | 0.60 | — | — | |
| SCHEMBL28327896 | 0.60 | — | — | |
| Pentachloroethane SCHEMBL21219234 | 0.58 | TSHR (0.42) | — | |
| SCHEMBL11681678 | 0.56 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2025019747-A1 | PROCESSES FOR THE PRODUCTION OF Z-1,1,1,4,4,4-HEXAFLUORO-2-BUTENE INTERMEDIATES AND COMPOSITIONS THEREOF | THE CHEMOURS COMPANY FC, LLC (US) | 2025-01-23 | — | — | WO | claimed |
| CN-118926263-A | Method for removing chlorinated pollutants in rectification residues | 浙江大学 | 2024-11-12 | — | — | CN | claimed |
| WO-2025019747-A1 | PROCESSES FOR THE PRODUCTION OF Z-1,1,1,4,4,4-HEXAFLUORO-2-BUTENE INTERMEDIATES AND COMPOSITIONS THEREOF | THE CHEMOURS COMPANY FC, LLC (US) | 2025-01-23 | — | — | WO | disclosed |
| CN-118926263-A | Method for removing chlorinated pollutants in rectification residues | 浙江大学 | 2024-11-12 | — | — | CN | disclosed |
| EP-2829536-A1 | 4-Nitro-5-dichloromethylpyrazol derivatives for the treatment of infectious diseases | LIONEX Diagnostics and Therapeutics GmbH (DE) | 2015-01-28 | — | — | EP | disclosed |
| US-7332512-B2 | Halogenated nitrobutadienes for controlling animal pests | BAYER CROPSCIENCE AG (DE) | 2008-02-19 | — | — | US | disclosed |
| US-7332512-B2 | Halogenated nitrobutadienes for controlling animal pests | BAYER CROPSCIENCE AG (DE) | 2008-02-19 | — | — | US | disclosed |
| US-7332512-B2 | Halogenated nitrobutadienes for controlling animal pests | BAYER CROPSCIENCE AG (DE) | 2008-02-19 | — | — | US | disclosed |
| US-20050080272-A1 | Halogenated nitrobutadienes for controlling animal pests | BAYER CROPSCIENCE AG (DE) | 2005-04-14 | — | — | US | disclosed |
| EP-1444221-A1 | HALOGENATED NITROBUTADIENES FOR CONTROLLING ANIMAL PESTS | Bayer CropScience AG (DE) | 2004-08-11 | — | — | EP | disclosed |
| WO-2003040129-A1 | HALOGENATED NITROBUTADIENES FOR CONTROLLING ANIMAL PESTS | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2003-05-15 | — | — | WO | disclosed |