⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13765734 | 0.87 | — | — | |
| SCHEMBL13765731 | 0.82 | — | — | |
| SCHEMBL13765732 | 0.81 | — | — | |
| SCHEMBL13765729 | 0.80 | — | — | |
| SCHEMBL13765664 | 0.77 | — | — | |
| SCHEMBL13765737 | 0.76 | — | — | |
| SCHEMBL13765667 | 0.76 | — | — | |
| SCHEMBL13765735 | 0.74 | — | — | |
| SCHEMBL13765669 | 0.74 | — | — | |
| SCHEMBL13765730 | 0.74 | — | — |
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-7560147-B2 | Liquid-crystal medium | MERCK PATENT GMBH (DE) | 2009-07-14 | — | — | US | disclosed |
| US-20080193681-A1 | Liquid-Crystal Medium | MERCK PATENT GMBH (DE) | 2008-08-14 | — | — | US | disclosed |