⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14449340 | 0.73 | PARP1 (0.32) | — | |
| SCHEMBL14144581 | 0.70 | NOTUM (0.33) | — | |
| SCHEMBL10021606 | 0.70 | CA1 (0.34) | — | |
| SCHEMBL14449334 | 0.69 | — | — | |
| SCHEMBL14449337 | 0.69 | — | — | |
| SCHEMBL14449332 | 0.69 | NOTUM (0.33) | — | |
| SCHEMBL14449343 | 0.66 | — | — | |
| SCHEMBL22474451 | 0.66 | NOTUM (0.30) | — | |
| SCHEMBL14449349 | 0.65 | — | — | |
| SCHEMBL14449336 | 0.65 | AKR1B1 (0.34) | — |
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 |