⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20248296 | 0.99 | — | — | |
| SCHEMBL12351464 | 0.74 | — | — | |
| SCHEMBL12698777 | 0.73 | — | — | |
| SCHEMBL13299245 | 0.72 | — | — | |
| SCHEMBL16803178 | 0.72 | — | — | |
| SCHEMBL18069639 | 0.72 | — | — | |
| SCHEMBL14156247 | 0.72 | — | — | |
| SCHEMBL25605997 | 0.71 | CHRM2 (0.33) | — | |
| SCHEMBL16588496 | 0.70 | CHRM2 (0.31) | — | |
| SCHEMBL13299259 | 0.70 | CHRM2 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11667845-B2 | Liquid crystalline medium | MERCK PATENT GMBH (DE) | 2023-06-06 | — | — | US | disclosed |
| US-20180163137-A1 | POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS | MERCK PATENT GMBH (DE) | 2018-06-14 | — | — | US | disclosed |