⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8459168 | 0.79 | TYR (0.36) | — | |
| SCHEMBL8420829 | 0.75 | MEN1 (0.33) | — | |
| SCHEMBL7925860 | 0.72 | — | — | |
| SCHEMBL8459185 | 0.70 | CNR2 (0.31) | — | |
| SCHEMBL8462721 | 0.69 | SPHK1 (0.33) | — | |
| SCHEMBL8461690 | 0.65 | MAPT (0.34) | — | |
| SCHEMBL8459322 | 0.61 | CRBN (0.47) | — | |
| SCHEMBL10301643 | 0.60 | ALOX5 (0.34) | — | |
| SCHEMBL12196675 | 0.60 | TYR (0.37) | — | |
| SCHEMBL7930778 | 0.59 | TYR (0.36) | — |
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-0944570-A1 | 5,7-DIFLUORO-3,4-DIHYDRO-2H-NAPHTHALENE-1-ONE DERIVATIVES AND THE USE THEREOF IN LIQUID CRYSTAL MIXTURES | Aventis Research & Technologies GmbH & Co. KG (DE) | 1999-09-29 | — | — | EP | disclosed |
| WO-1998027045-A1 | 5,7-DIFLUORO-3,4-DIHYDRO-2H-NAPHTHALENE-1-ONE DERIVATIVES AND THE USE THEREOF IN LIQUID CRYSTAL MIXTURES | AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO KG (DE) | 1998-06-25 | — | — | WO | disclosed |