⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14449390 | 0.75 | AKR1B1 (0.31) | — | |
| SCHEMBL14449375 | 0.72 | BRD4 (0.32) | — | |
| SCHEMBL14449378 | 0.70 | — | — | |
| SCHEMBL14449377 | 0.69 | HTR7 (0.33) | — | |
| SCHEMBL14449386 | 0.65 | AKR1B1 (0.32) | — | |
| SCHEMBL14449372 | 0.65 | — | — | |
| SCHEMBL14449334 | 0.62 | — | — | |
| SCHEMBL14449362 | 0.62 | — | — | |
| SCHEMBL14449349 | 0.61 | — | — | |
| SCHEMBL14449385 | 0.60 | MAOB (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7247355-B2 | Liquid crystal compound having chroman ring, liquid crystal composition comprising the compound and liquid crystal display device comprising the composition | CHISSO CORPORATION (JP) | 2007-07-24 | — | — | US | disclosed |
| US-7247355-B2 | Liquid crystal compound having chroman ring, liquid crystal composition comprising the compound and liquid crystal display device comprising the composition | CHISSO CORPORATION (JP) | 2007-07-24 | — | — | US | disclosed |