⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13067337 | 0.85 | — | — | |
| SCHEMBL13067304 | 0.82 | — | — | |
| SCHEMBL13586158 | 0.82 | MPL (0.31) | — | |
| SCHEMBL13586084 | 0.82 | MPL (0.31) | — | |
| SCHEMBL13067291 | 0.81 | NPC1 (0.30) | — | |
| SCHEMBL13067334 | 0.80 | MPL (0.31) | — | |
| SCHEMBL13067351 | 0.78 | RARB (0.35) | — | |
| SCHEMBL13586343 | 0.78 | BRD4 (0.34) | — | |
| SCHEMBL12907234 | 0.77 | NFE2L2 (0.33) | — | |
| SCHEMBL12834389 | 0.77 | TUBB1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7838087-B2 | Benzene derivative, liquid crystal composition and liquid crystal display device | CHISSO CORPORATION (JP) | 2010-11-23 | — | — | US | disclosed |