⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29332069 | 0.91 | — | — | |
| SCHEMBL29332075 | 0.88 | — | — | |
| SCHEMBL29332078 | 0.88 | — | — | |
| SCHEMBL29332073 | 0.86 | — | — | |
| SCHEMBL21608892 | 0.83 | — | — | |
| SCHEMBL21608683 | 0.83 | — | — | |
| SCHEMBL21608656 | 0.80 | — | — | |
| SCHEMBL21608661 | 0.80 | — | — | |
| SCHEMBL29332080 | 0.79 | TNF (0.31) | — | |
| SCHEMBL9886608 | 0.79 | — | — |
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-12043782-B2 | Liquid crystalline medium | MERCK PATENT GMBH (DE) | 2024-07-23 | — | — | US | disclosed |