⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8440460 | 0.87 | MAPT (0.30) | — | |
| SCHEMBL8437513 | 0.77 | MAPT (0.31) | — | |
| SCHEMBL8438668 | 0.76 | — | — | |
| SCHEMBL8423689 | 0.67 | MAPT (0.30) | — | |
| SCHEMBL8437979 | 0.62 | MAPT (0.38) | — | |
| SCHEMBL8427259 | 0.61 | MAPT (0.40) | — | |
| SCHEMBL8435374 | 0.58 | HIF1A (0.35) | — | |
| SCHEMBL12076324 | 0.55 | MAPT (0.44) | — | |
| SCHEMBL3819781 | 0.54 | MAPT (0.42) | — | |
| SCHEMBL3822061 | 0.54 | MAPT (0.46) | — |
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-0824521-B1 | 1-FLUOR-6,7-DIHYDRO-5H-ISOQUINOLINE-8-ONE-DERIVATIVES AND THE USE THEREOF IN LIQUID CRYSTALLINE MIXTURES | AVENTIS RES & TECH GMBH & CO (DE) | 1999-12-01 | — | — | EP | disclosed |
| US-5874023-A | ELECTROOPTICS, DISPLAYS | HOECHST AKTIENGESELLSCHAFT (DE) | 1999-02-23 | — | — | US | disclosed |
| EP-0824521-A1 | 1-FLUOR-6,7-DIHYDRO-5H-ISOQUINOLINE-8-ONE-DERIVATIVES AND THE USE THEREOF IN LIQUID CRYSTALLINE MIXTURES | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-02-25 | — | — | EP | disclosed |
| WO-1996035673-A1 | 1-FLUOR-6,7-DIHYDRO-5H-ISOQUINOLINE-8-ONE-DERIVATIVES AND THE USE THEREOF IN LIQUID CRYSTALLINE MIXTURES | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-11-14 | — | — | WO | disclosed |