⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13647661 | 0.86 | CA1 (0.31) | — | |
| SCHEMBL13647667 | 0.81 | — | — | |
| SCHEMBL23348968 | 0.77 | — | — | |
| SCHEMBL21675503 | 0.74 | — | — | |
| SCHEMBL13268365 | 0.73 | — | — | |
| SCHEMBL16789873 | 0.72 | — | — | |
| SCHEMBL18356247 | 0.71 | CA1 (0.35) | — | |
| SCHEMBL25095527 | 0.70 | — | — | |
| SCHEMBL13299275 | 0.69 | — | — | |
| SCHEMBL21891648 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1861477-B1 | LIQUID-CRYSTAL MEDIUM | MERCK PATENT GMBH (DE) | 2009-10-14 | — | — | EP | disclosed |