⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7935195 | 0.88 | — | — | |
| SCHEMBL8462312 | 0.81 | THRA (0.37) | — | |
| SCHEMBL7796282 | 0.81 | CYP3A4 (0.30) | — | |
| SCHEMBL7930592 | 0.80 | LTA4H (0.35) | — | |
| SCHEMBL7922659 | 0.77 | CYP3A4 (0.31) | — | |
| SCHEMBL5722723 | 0.75 | LTA4H (0.35) | — | |
| SCHEMBL5722617 | 0.74 | — | — | |
| SCHEMBL5722637 | 0.70 | DRD2 (0.33) | — | |
| SCHEMBL7930742 | 0.69 | DRD2 (0.31) | — | |
| SCHEMBL7935001 | 0.69 | DRD2 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0944690-B1 | 1,1,5,7-TETRAFLUORO-1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES AND THEIR USE IN LIQUID CRYSTAL MIXTURES | AVENTIS RES & TECH GMBH & CO (DE) | 2001-11-28 | — | — | EP | disclosed |
| EP-0944690-A1 | 1,1,5,7-TETRAFLUORO-1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES AND THEIR USE IN LIQUID CRYSTAL MIXTURES | Aventis Research & Technologies GmbH & Co KG (DE) | 1999-09-29 | — | — | EP | disclosed |
| WO-1998027179-A1 | 1,1,5,7-TETRAFLUORO-1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES AND THEIR USE IN LIQUID CRYSTAL MIXTURES | AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO KG (DE) | 1998-06-25 | — | — | WO | disclosed |