⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8012188 | 1.00 | — | — | |
| SCHEMBL8004074 | 0.77 | — | — | |
| SCHEMBL5076963 | 0.77 | — | — | |
| SCHEMBL5076960 | 0.77 | — | — | |
| SCHEMBL5475729 | 0.77 | — | — | |
| SCHEMBL8004077 | 0.77 | — | — | |
| SCHEMBL5475733 | 0.77 | — | — | |
| SCHEMBL1148872 | 0.74 | — | — | |
| SCHEMBL8012320 | 0.74 | — | — | |
| SCHEMBL1148874 | 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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6111130-A | Process for the preparation of trifluoromethyl containing derivatives | ALLIEDSIGNAL INC. (US) | 2000-08-29 | — | — | US | disclosed |
| US-6013838-A | 1,1,1-TRIFLUORO-2-CHLOROALK-2-ENESULFONYLS, CARBONYLS OR AMINES AS INTERMEDIAATES FOR TRIMETHYLATE DRUGS, AGRICULTURE AND LIQUID CRYSTALS | ALLIEDSIGNAL INC. (US) | 2000-01-11 | — | — | US | disclosed |
| EP-0815066-B1 | NOVEL INTERMEDIATES FOR THE SYNTHESIS OF TRIFLUOROMETHYLATED ORGANIC COMPOUNDS | ALLIED SIGNAL INC (US) | 2000-01-05 | — | — | EP | disclosed |
| WO-1999058488-A1 | IMPROVED PROCESS FOR THE PREPARATION OF TRIFLUOROMETHYL CONTAINING DERIVATIVES | ALLIEDSIGNAL INC. (US) | 1999-11-18 | — | — | WO | disclosed |
| WO-1999037610-A1 | NOVEL CHEMICAL INTERMEDIATES BEARING A TRIFLUOROMETHYL GROUP | ALLIEDSIGNAL INC. (US) | 1999-07-29 | — | — | WO | disclosed |
| EP-0815066-A1 | NOVEL INTERMEDIATES FOR THE SYNTHESIS OF TRIFLUOROMETHYLATED ORGANIC COMPOUNDS | AlliedSignal Inc. (US) | 1998-01-07 | — | — | EP | disclosed |
| US-5654473-A | Intermediates for the synthesis of trifluoromethylated organic compounds | ALLIEDSIGNAL INC. (US) | 1997-08-05 | — | — | US | disclosed |
| WO-1996028404-A1 | NOVEL INTERMEDIATES FOR THE SYNTHESIS OF TRIFLUOROMETHYLATED ORGANIC COMPOUNDS | ALLIEDSIGNAL INC. (US) | 1996-09-19 | — | — | WO | disclosed |