⚠ 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 | — | — | |
| SCHEMBL7930560 | 0.82 | — | — | |
| SCHEMBL7796762 | 0.78 | TYR (0.37) | — | |
| SCHEMBL8061158 | 0.74 | — | — | |
| SCHEMBL8420829 | 0.74 | MEN1 (0.33) | — | |
| SCHEMBL7925860 | 0.71 | — | — | |
| SCHEMBL5722763 | 0.69 | HTR1D (0.30) | — | |
| SCHEMBL8062250 | 0.68 | SPHK1 (0.39) | — | |
| SCHEMBL9405798 | 0.65 | CYP1A2 (0.35) | — | |
| SCHEMBL9405802 | 0.65 | CYP1A2 (0.35) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0946476-B1 | 5,7-DIFLUORO-1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES AND THEIR USE THEREOF IN LIQUID CRYSTAL MIXTURES | AVENTIS RES & TECH GMBH & CO (DE) | 2001-11-21 | — | — | EP | disclosed |
| US-6159392-A | 5,7-difluoro-1,2,3,4-tetrahydronaphthalene derivatives and their use thereof in liquid crystal mixtures | AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) | 2000-12-12 | — | — | US | disclosed |