⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5475733 | 1.00 | — | — | |
| SCHEMBL5076963 | 0.77 | — | — | |
| SCHEMBL5076960 | 0.77 | — | — | |
| SCHEMBL8004077 | 0.77 | — | — | |
| SCHEMBL8012188 | 0.77 | — | — | |
| SCHEMBL8004074 | 0.77 | — | — | |
| SCHEMBL8012189 | 0.77 | — | — | |
| SCHEMBL8003800 | 0.74 | — | — | |
| SCHEMBL1148872 | 0.74 | — | — | |
| SCHEMBL8012324 | 0.74 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6476279-B2 | REACTING A HALOGENATED ALKANE WITH AN ALKYL VINYL ETHER TO FORM A HALOGENATED UNSATURATED ALDEHYDE, WHICH IS REDUCED TO FORM A HALOGENATED UNSATURATED ALCOHOL, WHICH IS FURTHER REDUCED | HONEYWELL INTERNATIONAL INC. | 2002-11-05 | — | — | US | claimed |
| US-20020095059-A1 | Reacting a halogenated alkane with an alkyl vinyl ether to form a halogenated unsaturated aldehyde, which is reduced to form a halogenated unsaturated alcohol, which is further reduced | HONEYWELL INTERNATIONAL, INC. | 2002-07-18 | — | — | US | claimed |
| EP-0815066-B1 | NOVEL INTERMEDIATES FOR THE SYNTHESIS OF TRIFLUOROMETHYLATED ORGANIC COMPOUNDS | ALLIED SIGNAL INC (US) | 2000-01-05 | — | — | EP | claimed |
| US-5654473-A | Intermediates for the synthesis of trifluoromethylated organic compounds | ALLIEDSIGNAL INC. (US) | 1997-08-05 | — | — | US | claimed |
| US-20070167421-A1 | Pyrimidine derivatives and use thereof as agricultural and horticultural fungicides | ITO MASHITO | 2007-07-19 | — | — | US | disclosed |
| US-6476279-B2 | REACTING A HALOGENATED ALKANE WITH AN ALKYL VINYL ETHER TO FORM A HALOGENATED UNSATURATED ALDEHYDE, WHICH IS REDUCED TO FORM A HALOGENATED UNSATURATED ALCOHOL, WHICH IS FURTHER REDUCED | HONEYWELL INTERNATIONAL INC. | 2002-11-05 | — | — | US | disclosed |
| US-20020095059-A1 | Reacting a halogenated alkane with an alkyl vinyl ether to form a halogenated unsaturated aldehyde, which is reduced to form a halogenated unsaturated alcohol, which is further reduced | HONEYWELL INTERNATIONAL, INC. | 2002-07-18 | — | — | US | disclosed |
| US-6111130-A | Process for the preparation of trifluoromethyl containing derivatives | ALLIEDSIGNAL INC. (US) | 2000-08-29 | — | — | US | disclosed |
| EP-0815066-B1 | NOVEL INTERMEDIATES FOR THE SYNTHESIS OF TRIFLUOROMETHYLATED ORGANIC COMPOUNDS | ALLIED SIGNAL INC (US) | 2000-01-05 | — | — | EP | disclosed |
| US-5654473-A | Intermediates for the synthesis of trifluoromethylated organic compounds | ALLIEDSIGNAL INC. (US) | 1997-08-05 | — | — | US | disclosed |