⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12716208 | 0.89 | — | — | |
| SCHEMBL12823671 | 0.89 | — | — | |
| SCHEMBL12821231 | 0.88 | CYP17A1 (0.33) | — | |
| SCHEMBL13586292 | 0.88 | BRD4 (0.30) | — | |
| SCHEMBL13586285 | 0.87 | BRD4 (0.30) | — | |
| SCHEMBL12821113 | 0.86 | — | — | |
| SCHEMBL12821229 | 0.85 | TUBB1 (0.33) | — | |
| SCHEMBL12821116 | 0.84 | BRD4 (0.32) | — | |
| SCHEMBL13586370 | 0.84 | BRD4 (0.33) | — | |
| SCHEMBL12718456 | 0.83 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009150966-A1 | TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT | チッソ株式会社 (JP) | 2009-12-17 | — | — | WO | disclosed |