⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8055273 | 0.91 | TBXA2R (0.31) | — | |
| SCHEMBL8049854 | 0.85 | MAOB (0.38) | — | |
| SCHEMBL9246820 | 0.85 | PROKR1 (0.34) | — | |
| SCHEMBL9246812 | 0.85 | PROKR1 (0.34) | — | |
| SCHEMBL9246826 | 0.85 | PROKR1 (0.34) | — | |
| SCHEMBL9253001 | 0.82 | PROKR1 (0.33) | — | |
| SCHEMBL9253009 | 0.82 | PROKR1 (0.33) | — | |
| SCHEMBL9253015 | 0.82 | PROKR1 (0.33) | — | |
| SCHEMBL8052536 | 0.81 | MAOB (0.40) | — | |
| SCHEMBL8047757 | 0.81 | MAOA (0.38) | — |
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-0728829-B1 | Liquid crystalline alkenylcyclohexene derivative, liquid crystal composition and liquid crystal display element | CHISSO CORP (JP) | 2000-05-03 | — | — | EP | disclosed |
| US-5698136-A | LOW TEMPERATURE COMPATIBILITY, CHEMICAL STABILITY | CHISSO CORPORATION (JP) | 1997-12-16 | — | — | US | disclosed |
| EP-0728829-A2 | Liquid crystalline alkenylcyclohexene derivative, liquid crystal composition and liquid crystal display element | CHISSO CORPORATION (JP) | 1996-08-28 | — | — | EP | disclosed |