⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12760100 | 0.91 | — | — | |
| SCHEMBL13167477 | 0.88 | — | — | |
| SCHEMBL14328112 | 0.85 | FFAR4 (0.36) | — | |
| SCHEMBL14328111 | 0.80 | TRPA1 (0.33) | — | |
| SCHEMBL12626638 | 0.79 | FFAR4 (0.31) | — | |
| SCHEMBL14328106 | 0.78 | TUBB1 (0.33) | — | |
| SCHEMBL14328127 | 0.78 | SRC (0.36) | — | |
| SCHEMBL10014983 | 0.78 | — | — | |
| SCHEMBL14328126 | 0.78 | — | — | |
| SCHEMBL14328307 | 0.78 | CYP4F2 (0.31) | — |
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-9745512-B2 | Liquid-crystalline medium | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2017-08-29 | — | — | US | disclosed |
| US-20120326085-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2012-12-27 | — | — | US | disclosed |
| US-8163200-B2 | Cyclohexene compounds for liquid-crystalline mixtures | MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) | 2012-04-24 | — | — | US | disclosed |