⚠ 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 | |
|---|---|---|---|---|
| Trichloroethane SCHEMBL16434 | 0.93 | — | — | |
| Trichloroethane SCHEMBL3833855 | 0.93 | TSHR (1.00) | — | |
| Trichloroethane SCHEMBL10482068 | 0.93 | TSHR (1.00) | — | |
| Trichloroethane SCHEMBL64609 | 0.93 | — | — | |
| Trichloroethane SCHEMBL25372481 | 0.86 | — | — | |
| Trichloroethane SCHEMBL8720044 | 0.86 | TSHR (0.86) | — | |
| Trichloroethane SCHEMBL11347390 | 0.86 | — | — | |
| Trichloroethane SCHEMBL4603454 | 0.86 | TSHR (0.86) | — | |
| Trichloroethane SCHEMBL9279232 | 0.86 | — | — | |
| Trichloroethane SCHEMBL4605092 | 0.86 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114835562-A | Preparation method of methoxyflurane | 山东华安新材料有限公司 | 2022-08-02 | — | — | CN | disclosed |
| US-5608124-A | NONCATALYTIC; LARGE MOLAR EXCESS HYDROGEN FLUORIDE IN REACTION MIXTURE; VAPOR PHASE PRODUCT; CONTINUOUSLY REFLUXING HYDROGEN FLUORIDE BACK TO REACTION MIXTURE | ELF ATOCHEM NORTH AMERICA, INC. (US) | 1997-03-04 | — | — | US | disclosed |
| EP-0402626-B1 | Process for continuous liquid phase reaction of hydrogen fluoride and 1,1,1,-trichloroethane to provide 1,1-dichloro-1-fluoroethane and 1-chloro-1,1-difluoroethane mixtures | ATOCHEM NORTH AMERICA (US) | 1995-03-08 | — | — | EP | disclosed |
| US-5386068-A | Adding ethylenic hydrocarbon containing at least 4 carbon atoms | D'ELF ATOCHEM S.A. (FR) | 1995-01-31 | — | — | US | disclosed |
| EP-0402626-A2 | Process for continuous liquid phase reaction of hydrogen fluoride and 1,1,1,-trichloroethane to provide 1,1-dichloro-1-fluoroethane and 1-chloro-1,1-difluoroethane mixtures | ELF ATOCHEM NORTH AMERICA, INC. (US) | 1990-12-19 | — | — | EP | disclosed |