⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8420829 | 0.89 | MEN1 (0.33) | — | |
| SCHEMBL7929228 | 0.76 | TYR (0.41) | — | |
| SCHEMBL8042198 | 0.73 | — | — | |
| SCHEMBL8463171 | 0.72 | — | — | |
| SCHEMBL16852374 | 0.68 | THRA (0.42) | — | |
| SCHEMBL16852373 | 0.68 | NAAA (0.40) | — | |
| SCHEMBL16852413 | 0.68 | THRA (0.40) | — | |
| SCHEMBL16852367 | 0.68 | THRA (0.42) | — | |
| SCHEMBL16852376 | 0.68 | THRA (0.42) | — | |
| SCHEMBL17108393 | 0.68 | TYR (0.43) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0946474-B1 | 1,3-DIFLUORONAPTHALENE DERIVATIVES FOR LIQUID CRYSTAL MIXTURES | AVENTIS RES & TECH GMBH & CO (DE) | 2001-11-07 | — | — | EP | disclosed |
| US-6159561-A | FOR FERROELECTRIC SWITCHING AND/OR DISPLAY DEVICES | HOECHST AKTIENGESELLSCHAFT (DE) | 2000-12-12 | — | — | US | disclosed |
| EP-0946474-A1 | 1,3-DIFLUORONAPTHALENE DERIVATIVES FOR LIQUID CRYSTAL MIXTURES | HOECHST AKTIENGESELLSCHAFT (DE) | 1999-10-06 | — | — | EP | disclosed |
| WO-1998027037-A1 | 1,3-DIFLUORONAPTHALENE DERIVATIVES FOR LIQUID CRYSTAL MIXTURES | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-06-25 | — | — | WO | disclosed |