⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8463171 | 0.82 | — | — | |
| SCHEMBL7793317 | 0.82 | — | — | |
| SCHEMBL7930778 | 0.79 | TYR (0.36) | — | |
| SCHEMBL8420829 | 0.73 | MEN1 (0.33) | — | |
| SCHEMBL7925860 | 0.70 | — | — | |
| SCHEMBL5722592 | 0.70 | — | — | |
| SCHEMBL7922694 | 0.70 | CNR2 (0.31) | — | |
| SCHEMBL7932528 | 0.65 | CYP3A4 (0.34) | — | |
| SCHEMBL7931886 | 0.62 | SPHK1 (0.40) | — | |
| SCHEMBL5722695 | 0.62 | CRBN (0.40) | — |
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 |