⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5056568 | 0.82 | — | — | |
| SCHEMBL1142149 | 0.80 | — | — | |
| SCHEMBL1889244 | 0.74 | MAPT (0.39) | — | |
| SCHEMBL72771 | 0.71 | — | — | |
| SCHEMBL5450 | 0.57 | — | — | |
| Water SCHEMBL5110307 | 0.55 | — | — | |
| Water SCHEMBL6421934 | 0.55 | ALDH1A1 (0.37) | — | |
| Bromide SCHEMBL3131534 | 0.55 | — | — | |
| Thianthrene SCHEMBL7786 | 0.48 | BCHE (0.56) | — | |
| SCHEMBL30823 | 0.48 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6824706-B2 | OXIDATIVE STABILITY; PROCESSIBILITY; EASY TO SYNTHESIZE; HIGH CHARGE MOBILITY | MERCK PATENT GESELLSCHAFT MIT BESCHRANK HAFTUNG (DE) | 2004-11-30 | — | — | US | disclosed |
| US-20030062536-A1 | Mono-, oligo- and poly-difluorovinyl-(hetero)arylenes, their synthesis and their use as charge transport materials | MERCK PATENT GMBH (DE) | 2003-04-03 | — | — | US | disclosed |
| EP-1279691-A1 | Mono-, oligo- and poly-difluorovinyl-(hetero)arylenes, their synthesis and their use as charge transport materials | MERCK PATENT GmbH (DE) | 2003-01-29 | — | — | EP | disclosed |