⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9613639 | 0.85 | — | — | |
| SCHEMBL12328441 | 0.85 | — | — | |
| SCHEMBL12657312 | 0.85 | — | — | |
| SCHEMBL18069662 | 0.85 | — | — | |
| SCHEMBL19884718 | 0.81 | — | — | |
| SCHEMBL12328153 | 0.80 | ALDH1A1 (0.40) | — | |
| SCHEMBL13900990 | 0.79 | — | — | |
| SCHEMBL14393106 | 0.78 | — | — | |
| SCHEMBL14393381 | 0.78 | — | — | |
| SCHEMBL14050490 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2457975-A2 | Liquid-crystalline mixtures | Merck Patent GmbH (DE) | 2012-05-30 | — | — | EP | disclosed |
| US-20090230354-A1 | Liquid Crystalline Medium | MERCK PATENT GESELLSCHAFT (DE) | 2009-09-17 | — | — | US | disclosed |