⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18646450 | 0.90 | — | — | |
| SCHEMBL25808336 | 0.85 | — | — | |
| SCHEMBL20176140 | 0.85 | — | — | |
| SCHEMBL18646930 | 0.84 | — | — | |
| SCHEMBL25808333 | 0.83 | — | — | |
| SCHEMBL25808335 | 0.80 | LPAR3 (0.31) | — | |
| SCHEMBL935938 | 0.78 | ALDH1A1 (0.32) | — | |
| SCHEMBL29642890 | 0.78 | ALDH1A1 (0.32) | — | |
| SCHEMBL13774784 | 0.75 | ALDH1A1 (0.32) | — | |
| SCHEMBL28297755 | 0.75 | ALDH1A1 (0.32) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11685863-B2 | Polymerisable compounds and the use thereof in liquid-crystal displays | MERCK PATENT GMBH (DE) | 2023-06-27 | — | — | US | disclosed |