⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18621858 | 0.92 | MEN1 (0.40) | — | |
| SCHEMBL26263995 | 0.90 | GABRA1 (0.33) | — | |
| SCHEMBL26263872 | 0.87 | GABRA1 (0.34) | — | |
| SCHEMBL18806011 | 0.87 | RXRA (0.34) | — | |
| SCHEMBL18308765 | 0.84 | ESR1 (0.34) | — | |
| SCHEMBL18806009 | 0.81 | ESR2 (0.33) | — | |
| SCHEMBL18308798 | 0.81 | MAPK14 (0.30) | — | |
| SCHEMBL12635522 | 0.81 | HRH3 (0.35) | — | |
| SCHEMBL12635510 | 0.81 | HRH3 (0.35) | — | |
| SCHEMBL18308729 | 0.80 | ALDH1A1 (0.37) | — |
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-20230183571-A1 | LIQUID-CRYSTAL MEDIUM COMPRISING POLYMERIZABLE COMPOUNDS | MERCK PATENT GMBH (DE) | 2023-06-15 | — | — | US | disclosed |
| US-20170121606-A1 | POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS | GMBH, MERCK PATENT (DE) | 2017-05-04 | — | — | US | disclosed |